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  2. 110-17-8
Fumaric acid | 110-17-8

Productnaam:Fumaric acid

CAS-nummer:110-17-8
MF:C4H4O4
MW:116.0722
MDL:MFCD00002700
CID:35604
PubChem ID:444972
Inleiding
       Fumaric acid(fumaric acid)Also known as fumarate,Violic acid or lichenic acid,Fumaric acid(IUPACbe known as(E)-Maleic acid),It is colorless\Flammable crystals,Carboxylic acids derived from butene.Burning fumarate will release irritating Maleic anhydride Fumigation.It tastes like fruit,And in the genus Corydalis\Boletus spp\Found in lichens and Icelandic seaweed.
Naam en identificatie
  • Fumaric acid
  • 2-BUTENEDIOIC ACID
  • ACIDUM FUMARICUM
  • (e)-1,2-ethenedicarboxylic acid
  • (E)-2-Butenedioic acid
  • FEMA 2488
  • LICHENIC ACID
  • RARECHEM AL BO 0142
  • TRANS-1,2-ETHYLENEDICARBOXYLIC ACID
  • TRANS-1,2-ETHYLENTRICARBOXYLIC ACID
  • TRANS-2-BUTEN-1,4-DIOIC ACID
  • TRANS-2-BUTENEDIOIC ACID
  • TRANS-BUTENEDICARBOXYLIC ACID
  • TRANS-BUTENEDIOIC ACID
  • (2E)-2-Butenedioic acid
  • (e)-2-butenedioicaci
  • (e)-butenedioicaci
  • 1,2-Ethenedicarboxylic acid, trans-
  • FUMARIC ACID(RG)
  • Boletic acid
  • but-2-en-1,4-dioic acid
  • fumaric
  • FUMARSAEURE
  • Fumarsure
  • TMEDA
  • U-1149
  • Butenedioic acid
  • NSC-2752
  • [ "" ]
  • FA
  • boleticacid
  • Allomaleic acid
  • (2E)-but-2-enedioic acid
  • Tumaric acid
  • Allomalenic acid
  • 2-Butenedioic acid (E)-
  • Kyselina fumarova
  • Butenedioic acid, (E)-
  • Lichenic acid (VAN)
  • 2-Butenedioic acid, (E)-
  • Fumaricum acidum
  • 2-Butenedioic acid (2E)-
  • Caswell No. 465E
  • FEMA Number 2488
  • But-2-enedioi
  • fumarate
  • But-2-enedioic acid
  • FEMA No. 2488
  • FEMA
  • trans-2-Butenedioic Acid
  • (E)-1,2-Ethenedicarboxylic acid
  • Fumaric Acid
  • MLS002454406
  • (2E)-but-2-enedioate
  • cis-2-Butenedioic acid
  • trans-but-2-enedioic acid
  • trans-1,2-ethylenedicarboxylic acid
  • E297
  • cis-but-2-enedioic acid
  • trans-2-Butenedioic acid
  • sodium maleate
  • Maleic acid, disodium salt
  • Maleic acid
  • MALEIC ACID
  • MLSMR
  • Fumarsaeure
  • (E)-2-butenedioic acid
  • cis-1,2-ethylenedicarboxylic acid
  • FUMARATE
  • Lichenic acid
  • trans-Butenedioic acid
  • fumaric acid
  • Maleate
  • FUMARIC ACID
  • (E)-2-butenedioic acid, ion(2-)
  • cis-Butenedioic acid
  • H2male
  • disodium maleate
  • MLS002153468
  • (2E)-2-butenedioic acid
  • maleic acid
  • (Z)-butenedioic acid
  • (Z)-2-butenedioic acid
  • Fumarate
  • SMR000112117
  • toxilic acid
  • SMR001230824
  • MDL:MFCD00002700
  • InChIKey:VZCYOOQTPOCHFL-OWOJBTEDSA-N
  • Inchi:1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
  • SMILES:O([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=O
  • BRN:605763
Chemische en fysische eigenschappen

Berekende eigenschappen

  • Exacte massa: 116.01100
  • Aantal waterstofbonddonors: 2
  • Aantal waterstofbondacceptatoren: 4
  • Aantal draaibare bindingen: 2
  • Monoisotopische massa: 116.011
  • Zware atoomtelling: 8
  • Complexiteit: 119
  • Aantal isotopen atomen: 0
  • Gedefinieerd atoomstereocentrumaantal: 0
  • Ongedefinieerd atoomstereocentrumaantal: 0
  • Gedefinieerd stereocenter aantal obligaties: 1
  • Ongedefinieerd stereocenter aantal bindingen: 0
  • Aantal covalent gebonden eenheden: 1
  • Functioneel aantal 3D-acceptatoren: 4
  • Functioneel 3D Anionenaantal: 2
  • Aantal draaibare bindingen: 2
  • isomeer RMSD: 0.4
  • CID conformatieisomeertelling: 5
  • XLogP3: -0.3
  • Aantal tautomers: nothing
  • Oppervlakte lading: 0
  • Topologisch pooloppervlak: 74.6
  • Moleculair gewicht: 116.07

Experimentele eigenschappen

  • LogboekP: -0.28820
  • PSA: 74.60000
  • Merck: 4287
  • Brekindex: 1.5260 (estimate)
  • Waterverdelingscoëfficiënt: 0.63 g/100 mL (25 ºC)
  • Kookpunt: 355.5±25.0°C at 760 mmHg
  • Smeltpunt: 298-300 °C (subl.) (lit.)
  • Dampfdruk: 1.7 mmHg ( 165 °C)
  • Vlampunt: Fahrenheit: 446 ° f
    Celsius: 230 ° c
  • FEMA: 2488
  • Oplosbaarheid: 95% ethanol: soluble0.46g/10 mL, clear, colorless
  • Kleur/vorm: 1 mg/g in D2O
  • Kleur/vorm: White particles or crystalline powder
  • PH: 2.1 (4.9g/l, H2O, 20℃)
  • Stabiliteit/houdbaarheid: Stable at room temperature. Decomposes at around 230 C. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible.
  • Oplosbaarheid: It is soluble in ethanol, slightly soluble in water and ether, but poorly soluble in chloroform, carbon tetrachloride and benzene.
  • Gevoeligheid: Sensitive to humidity
  • pka: 3.02, 4.38(at 25℃)
  • λ max: 220(lit.)
  • Dichtheid: 1.625
  • Geur: Odorless
Beveiligingsinformatie
  • Symbool: GHS07
  • RTECS:LS9625000
  • WGK Duitsland:1
  • Veiligheidsinstructies:S26
  • Risicozinnen:R36
  • Gevaarlijke goederen ondertekenen: Xi Xi
  • Vervoersnummer gevaarlijk materiaal:UN 9126
  • Gevaarverklaring:H319
  • Waarschuwingsverklaring:P305+P351+P338
  • Prompt:warning
  • Opslagvoorwaarde:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Code gevarencategorie:36
  • Signaalwoord:Warning
  • TSCA:Yes
  • Explosieve grenswaarde:40%
Douanegegevens
  • HS-CODE:29171900
  • Douanegegevens:

    China Customs Code:

    2942000000
Synthetisch circuit

Synthetisch circuit 1

Reactievoorwaarden
1.1 -
2.1 Reagents: Phosphorus oxychloride
3.1 -
Referentie
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Synthetisch circuit 2

Reactievoorwaarden
1.1 Reagents: Sodium hydroxide ,  Zinc Solvents: Ethanol ,  Water
2.1 -
3.1 Reagents: Phosphorus oxychloride
4.1 -
Referentie
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Synthetisch circuit 3

Reactievoorwaarden
1.1R:R:O2, S:H2O, 175°C, 30 bar
Referentie
Lignin alkaline oxidation using reversibly-soluble bases
By Kruger, Jacob S. et al, Green Chemistry, 2022, 24(22), 8733-8741

Synthetisch circuit 4

Reactievoorwaarden
1.1 -
2.1 Reagents: Sodium hydroxide ,  Zinc Solvents: Ethanol ,  Water
3.1 -
4.1 Reagents: Phosphorus oxychloride
5.1 -
Referentie
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Synthetisch circuit 5

Reactievoorwaarden
Referentie
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Synthetisch circuit 6

Reactievoorwaarden
1.1 Reagents: Acetone ;  3 h, 25 °C
Referentie
Microflow photochemistry - a reactor comparison study using the photochemical synthesis of terebic acid as a model reaction
Aida, Shin; et al, Tetrahedron Letters, 2012, 53(42), 5578-5581

Synthetisch circuit 7

Reactievoorwaarden
1.1R:H2SO4, R:H2O2
Referentie
Electrochemical conversion of lignin to short-chain carboxylic acids
By Sun, Shirong et al, Green Chemistry, 2023, 25(8), 3127-3136

Synthetisch circuit 8

Reactievoorwaarden
1.1 Reagents: Diisopropylethylamine Catalysts: 4-(Dimethylamino)pyridine Solvents: 1,4-Dioxane ;  0 - 10 °C; < 10 °C
2.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic acid ,  Tetrahydrofuran ,  Water
3.1 Reagents: Sodium borohydride Solvents: Methanol
3.2 Solvents: Dimethylacetamide
Referentie
An efficient, scalable and eco-friendly synthesis of 4,5-substituted pyrrole-3-carbonitriles by intramolecular annulation on Pd/C and HZSM-5
Chen, Jianchao; et al, ChemCatChem, 2019, 11(7), 1943-1948

Synthetisch circuit 9

Reactievoorwaarden
1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic acid ,  Tetrahydrofuran ,  Water
2.1 Reagents: Sodium borohydride Solvents: Methanol
2.2 Solvents: Dimethylacetamide
Referentie
An efficient, scalable and eco-friendly synthesis of 4,5-substituted pyrrole-3-carbonitriles by intramolecular annulation on Pd/C and HZSM-5
Chen, Jianchao; et al, ChemCatChem, 2019, 11(7), 1943-1948

Synthetisch circuit 10

Reactievoorwaarden
1.1 Reagents: Phosphorus oxychloride
2.1 -
Referentie
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83
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AB116886-500g 99% 500g €51.50/ ¥373.44 19 Sep. 2023
AB116886-10 kg 99% 10kg €170.00/ ¥1,232.70 31 Jan. 2023
AB116886-2,5 kg 99% 2.52,5kg €76.90/ ¥557.62 10 May. 2023
AB116886-500 g 99% 500g €51.50/ ¥373.44 10 May. 2023
Merk:topscience Leverancier:上海陶术生物科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
T3763-1 mL * 10 mM (in DMSO) 99.28% 上海现货 1 mL * 10 mM (in DMSO) ¥ 130 07 Sep. 2023
T3763-50mg 99.28% 上海现货 50mg ¥ 150 07 Sep. 2023
T3763-100 mg 98.00% 上海现货 100MG ¥485.00 26 Apr. 2022
Merk:scbt Leverancier:圣克鲁斯生物技术
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
sc-250031C-2.5kg ≥99% 2.5kg ¥1655.00 05 Sep. 2023
sc-250031B-500g ≥99% 500g ¥827.00 05 Sep. 2023
sc-250031A-100g ≥99% 100g ¥414.00 05 Sep. 2023
sc-250031-25g ≥99% 25g ¥308.00 05 Sep. 2023
sc-250031C-2.5 kg ≥99% 2.5 kg ¥1,655.00 10 Jul. 2023
sc-250031B-500 g ≥99% 500g ¥827.00 10 Jul. 2023
sc-250031A-100 g ≥99% 100g ¥414.00 10 Jul. 2023
sc-250031-25 g ≥99% 25g ¥308.00 10 Jul. 2023
Merk:九鼎 Leverancier:上海贤鼎生物科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
F077A-500g 99% 2.0 500g ¥71.0 02 Sep. 2023
F077A-100g 99% 1.0 100g ¥39.0 02 Sep. 2023
F077A-25g 99% 1.0 25g ¥47.0 02 Sep. 2023
F0067-500g 99.0%(GC&T) 1~2天 500g ¥190.0 02 Sep. 2023
F0067-25g 99.0%(GC&T) 1~2天 25g ¥130.0 02 Sep. 2023
F077A-500g 99% 6.0 500g ¥102.0 30 May. 2022
F077A-100g 99% 7.0 100g ¥53.0 30 May. 2022
F077A-25g 99% 5.0 25g ¥45.0 30 May. 2022
F0067-500g 99.0%(GC&T) 1~2天 500g ¥190.0 30 May. 2022
F0067-25g 99.0%(GC&T) 1~2天 25g ¥130.0 30 May. 2022
Merk:lifechemical Leverancier:Life Chemicals
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
F8886-8257-10g 95%+ Out of Stock 10g $84.0/ ¥610.11 21 Nov. 2023
F8886-8257-5g 95%+ Out of Stock 5g $60.0/ ¥435.79 21 Nov. 2023
F8886-8257-2.5g 95%+ Out of Stock 2.5g $40.0/ ¥290.53 21 Nov. 2023
F8886-8257-1g 95%+ Out of Stock 1g $21.0/ ¥152.53 21 Nov. 2023
F8886-8257-0.5g 95%+ Out of Stock 0.5g $19.0/ ¥138.00 21 Nov. 2023
F8886-8257-0.25g 95%+ Out of Stock 0.25g $18.0/ ¥130.74 21 Nov. 2023
Merk:oakwoodchemical Leverancier:Oakwood
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
094517-10kg 98% 10kg $205.00/ ¥1,488.96 15 Sep. 2023
094517-2.5Kg 98% 2.5kg $71.00/ ¥515.69 15 Sep. 2023
094517-1Kg 98% 1kg $40.00/ ¥290.53 15 Sep. 2023
094517-500g 98% 500g $26.00/ ¥188.84 15 Sep. 2023
094517-100g 98% 100g $13.00/ ¥94.42 15 Sep. 2023
094517-25g 98% 25g $10.00/ ¥72.63 15 Sep. 2023
094517-5g 98% 5g $9.00/ ¥65.37 15 Sep. 2023
Merk:ambeed Leverancier:Ambeed
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
A145318-1kg 99+% 中国:-/USA:- 1kg $19.0/ ¥138.00 07 Sep. 2023
A145318-500g 99+% 中国:-/USA:- 500g $10.0/ ¥72.63 07 Sep. 2023
A145318-100g 99+% 中国:-/USA:- 100g $6.0/ ¥43.58 07 Sep. 2023
A1453559-25g 99+% USA:-/Globa:1 25g $5.00/ ¥36.32 02 Apr. 2022
A1453559-1kg 99% USA:-/Globa:>10 1kg $11.00/ ¥79.90 02 Apr. 2022
A1453559-500g 99+% USA:1/Globa:1 500g $11.00/ ¥79.90 02 Apr. 2022
A1453559-100g 99+% USA:4/Globa:5 100g $7.00/ ¥50.84 02 Apr. 2022
Merk:乐研 Leverancier:上海皓鸿生物医药科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
1016640-1kg 98% 上海:3/安徽:9/武汉:> 10/成都:> 10/天津:/深圳: 1kg ¥102.00 22 Nov. 2023
1016640-500g 98% 上海:4/安徽:--/武汉:> 10/成都:2/天津:/深圳: 500g ¥58.00 22 Nov. 2023
Merk:chemfaces Leverancier:ChemFaces
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
CFN99201-20mg >=98% 20mg $30/ ¥217.90 19 Sep. 2023
CFN99201-20mg >=98% 20mg $30/ ¥217.90 22 Jul. 2021
Merk:罗恩试剂 Leverancier:上海易恩化学技术有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
R010583-100g 99%(生物技术试剂) 现货 100g ¥75 11 Sep. 2023
R010447-500g 99.5% 现货 500g ¥88 11 Sep. 2023
R010447-100g 99.5% 现货 100g ¥42 11 Sep. 2023
R010446-500g 99% 现货 500g ¥49 11 Sep. 2023
R010446-100g 99% 现货 100g ¥27 11 Sep. 2023
Merk:labchem Leverancier:FUJIFILM
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
068-05661-100mg In stock in Japan 100mg JPY 4300/ ¥211.26 15 Sep. 2023
064-05663-1G In stock in Japan 1g JPY 11600/ ¥569.91 15 Sep. 2023
Merk:安捷凯 Leverancier:武汉安捷凯生物医药科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
ajce45140-5g 98% 现货 5g ¥445.00 08 Sep. 2023
Merk:Acmec Leverancier:上海吉至生化科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
F44530-100g 现货 100g ¥29.0 09 Sep. 2021
F44530-500g 99% 现货 500g ¥59.0 07 Sep. 2023
F44531-20mg 分析对照品,GC≥98% 现货 20mg ¥78.0 07 Sep. 2023
Merk:chemscene Leverancier:ChemScence
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
CS-W016599-100mg ≥98.0% In-stock 100mg $50.0/ ¥363.16 02 Sep. 2021
Merk:源叶 Leverancier:上海源叶生物科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
S30138-5*500g 99% 上海:预计交期:2-3天/北京:0/武汉:0/南京:0 5*500g ¥260.00 02 Sep. 2021
S30138-500g 99% 上海:>10/北京:3/武汉:0/南京:3 500g ¥60.00 02 Sep. 2021
S30138-100g 99% 上海:>10/北京:2/武汉:1/南京:3 100g ¥30.00 02 Sep. 2021
Merk:trc Leverancier:TRC
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
F500380-25g 0.0 25g $368.00/ ¥2,672.86 18 May. 2023
F500380-10g 0.0 10g $261.00/ ¥1,895.70 18 May. 2023
F500380-5g 0.0 5g $187.00/ ¥1,358.22 18 May. 2023
F500380-1g 0.0 1g $ 131.00/ ¥951.48 07 Sep. 2023
F500380-500mg 0.0 500mg $ 97.00/ ¥704.53 07 Sep. 2023
F500380-250mg 0.0 250mg $ 85.00/ ¥617.37 07 Sep. 2023
Merk:bomeibio Leverancier:合肥博美生物科技有限责任公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
HF1001-500g ≥99% 现货 500g ¥85元 15 Sep. 2023
HF1001-2.5kg ≥99% 现货 2.5kg ¥320元 15 Sep. 2023
HF1001-100g ≥99% 现货 100g ¥25元 15 Sep. 2023
Merk:麦克林 Leverancier:上海麦克林生化科技有限公司
Nee. Zuiverheid Voorraad Specificatie Prijs updatetijd werken
F809660-2.5kg 99.5% 预计交期:5~7个工作日 2.5kg 346.00 17 May. 2021
F809659-2.5kg CP,99.0% 上海仓库:现货北方仓库:非现货 2.5kg 198.00 17 May. 2021
F810002-2.5kg 生物技术级,≥99% 预计交期:8~10个工作日 2.5kg 1,780.00 17 May. 2021
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