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  2. 7597-18-4
6-nitro-1H-indazole | 7597-18-4

Product name:6-nitro-1H-indazole

CAS No:7597-18-4
MF:C7H5N3O2
MW:163.1335
MDL:MFCD00005695
CID:47583
PubChem ID:24239
Names and Identifiers
  • 6-Nitro-1H-indazole
  • 6-Nitroindazole
  • 6-Nitro (1H)indazole
  • Nonoic acid
  • Indazole,6-nitro- (5CI)
  • 6-Nitroisoindazole
  • NSC35066
  • NSC 56816
  • 6-Nitro-2H-indazole
  • 1H-INDAZOLE, 6-NITRO-
  • 2H-Indazole, 6-nitro-
  • MLS000069593
  • ORZRMRUXSPNQQL-UHFFFAOYSA-N
  • SMR000059016
  • 6NI
  • 6-nitro-indazol
  • indazole,6-nitro
  • PubChem20594
  • Opera_ID_909
  • 2H-Indazole,6-nitro-
  • MLS001148387
  • KSC379M3P
  • 6-nitro-1H-indazole
  • HMS3371G13
  • BCP27055
  • SCHEMBL15066491
  • FT-0621274
  • Q27456476
  • BRN 0007812
  • SR-01000597626
  • CHEMBL54277
  • PD059858
  • 5-23-06-00183 (Beilstein Handbook Reference)
  • DTXSID40884407
  • BB 0304023
  • 7597-18-4
  • 6-Nitroindazole, 97%
  • EN300-16639
  • 65750-02-9
  • N-2920
  • SR-01000597626-1
  • SCHEMBL271522
  • CCRIS 3263
  • 2H-Indazole, 6-nitro-
  • AC-650
  • F0001-1920
  • Tocris-0710
  • N0399
  • CS-M3172
  • PB17036
  • AKOS000121370
  • NS00045990
  • 6-nitro-indazole
  • MFCD00005695
  • NSC 35066
  • NSC56816
  • NCGC00024743-01
  • DB03100
  • AM20041127
  • NSC-35066
  • AQ-776/42801160
  • 6-Nitroindzole
  • F18039
  • A838566
  • BS-3879
  • Z56347246
  • HMS2233A08
  • NSC-56816
  • A9641
  • BDBM50284964
  • EINECS 231-500-9
  • SY003000
  • InChI=1/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9
  • MDL:MFCD00005695
  • InChIKey:ORZRMRUXSPNQQL-UHFFFAOYSA-N
  • Inchi:1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
  • SMILES:[O-][N+](C1C([H])=C([H])C2C([H])=NN([H])C=2C=1[H])=O
  • BRN:0007812
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 163.03800
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 163.038176
  • Heavy Atom Count: 12
  • Complexity: 192
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.1
  • Tautomer Count: 2
  • Surface Charge: 0
  • Topological Polar Surface Area: 74.5

Experimental Properties

  • LogP: 1.99430
  • PSA: 74.50000
  • Refractive Index: 1.5500 (estimate)
  • Boiling Point: 290.19°C (rough estimate)
  • Melting Point: 180.0 to 184.0 deg-C
  • Flash Point: 185.6℃
  • Color/Form: Yellow solid
  • Solubility: Not available
  • Density: 1.4141 (rough estimate)
Security Information
  • Symbol: GHS07 GHS08
  • RTECS:NK7962100
  • WGK Germany:3
  • Safety Term:S26;S36/37/39
  • Safety Instruction:S26-S27-S36/37/39
  • Risk Phrases:R20/21/22; R36; R68
  • Tanda barang berbahaya: Xn Xn
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302,H312,H315,H319,H332,H335,H351
  • Warning Statement:P261,P280,P305+P351+P338
  • Prompt:warning
  • Storage Condition:Sealed in dry,Room Temperature
  • Hazard Category Code:20/21/22-36/37/38-40
  • Signal Word:Warning
  • TSCA:Yes
Customs Data
  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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