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1-(氯甲基)-2,4-二甲苯 | 824-55-5

1-(氯甲基)-2,4-二甲苯
1-(chloromethyl)-2,4-dimethylbenzene
824-55-5
C9H11Cl
154.636641740799
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-(氯甲基)-2,4-二甲苯结构式
69989
名称和标识符
MDL MFCD00015556
InChIKey BETNPSBTDMBHCZ-UHFFFAOYSA-N
Inchi 1S/C9H11Cl/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
SMILES ClCC1C(C)=CC(C)=CC=1
BRN 742366
别名信息
- 中文别名 -
  • 1-(氯甲基)-2,4-二甲苯
  • 2,4-二甲基苯甲基氯
  • 2,4-二甲基苄氯(含2,6-异构体)
  • 1-(氯甲基)-2,4-二***
  • 2,4-Dimethylbenzyl Chloride (contains 2,6-isomer) 2,4-二甲基苄氯(含2,6-异构体)
  • 2,4-二甲基苄氯
  • 2,4-二甲基苄基氯
  • 2,4-二甲基苄基氯 (含2,6-异构体)
  • 2,4-二甲基苯甲基氯 (含2,6-异构体)
  • 1-(氯甲基)-2,4-二甲苯 (含2,6-异构体)
  • 2,4-二甲基氯苄
  • 2,4-二甲基苯甲基氯,96%
- 英文别名 -
  • 1-(chloromethyl)-2,4-dimethylbenzene
  • 2,4-Dimethylbenzyl chloride
  • 4-(Chloromethyl)-m-xylene
  • 2,4-Dimethylbenzyl Chloride (contains 2,6-isomer)
  • 1-Chloromethyl-2,4-dimethylbenzene (contains 2,6-isomer)
  • Benzene, 1-(chloromethyl)-2,4-dimethyl-
  • 1-Chloromethyl-2,4-dimethylbenzene
  • 2,4-Dimethyl-1-(chloromethyl)benzene
  • 2,4-DIMETHYLBENZYLCHLORIDE
  • BETNPSBTDMBHCZ-UHFFFAOYSA-N
  • 1-(Chloromethyl)-2,4-DiMethyl-Benzene
  • NSC574
  • NSC4
  • 4-(CHLOROMETHYL)-M-XYLENE
  • 1-(chloromethyl)-2,4-dimethyl-benzen
  • 1-CHLOROMETHYL-2,4-DIMETHYLBENZENE
  • 2,4-DIMETHYLBENZYL CHLORIDE
  • TIMTEC-BB SBB005790
  • 2,4-Dimethylbenzyl chloride, GC 97%
  • 1-(Chloromethyl)-2,4-dimethylbenzene (ACI)
  • 1,3-Dimethyl-4-chloromethylbenzene
  • NSC 405479
  • NSC 574
  • MFCD00015556
  • NSC405479
  • AT34214
  • 1-chloromethyl-2,4-dimethyl-benzene
  • EN300-95820
  • DTXSID9061178
  • NSC-405479
  • J-640263
  • AI3-15519
  • 1,3-Dimethyl-4-(chloromethyl)benzene
  • AKOS000261865
  • CK2041
  • 1-(Chloromethyl)-2,4-dimethylbenzene
  • FT-0610174
  • AM84238
  • SCHEMBL96223
  • 824-55-5
  • 5-CHLOROBARBITURICACID
  • J-800270
  • NSC-574
  • NS00038202
  • 2,4-DIMETHYLBENZYL CHLORIDE (CONTAINS 2,6-ISOMER)
  • EINECS 212-531-7
  • AS-77004
  • F0001-2112
  • D0288
物化性质
实验特性
LogP 3.04220
PSA 0.00000
折射率 1.5375-1.5395
沸点 105°C/14mmHg(lit.)
熔点 -43.35°C (estimate)
闪点 96°C
颜色与性状 未确定
溶解性 未确定
密度 1.06
计算特性
精确分子量 154.05500
氢键供体数量 0
氢键受体数量 0
可旋转化学键数量 1
同位素质量 154.054928
重原子数量 10
复杂度 101
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3
互变异构体数量
表面电荷 0
拓扑分子极性表面积 0
国际标准相关数据
EINECS 574
海关数据
海关编码 2903999090
海关数据

中国海关编码:

2903999090

概述:

2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
An Efficient Procedure for Chloromethylation of Aromatic Hydrocarbons Catalyzed by PEG1000-Dicationic Ionic Liquids in Aqueous Media
Hu, Yu Lin; et al, ChemCatChem, 2010, 2(4), 392-396

合成路线:1 步

反应条件:
参考文献:
Synthesis and molecular structures of zirconium and hafnium complexes bearing dimethylsilandiyl-bis-2,4,6-trimethylindenyl and dimethylsilandiyl-bis-2-methyl-4,6-diisopropylindenyl ligands
Izmer, Vyacheslav V.; et al, Journal of Organometallic Chemistry, 2005, 690(4), 1067-1079

合成路线:1 步

反应条件:
参考文献:
Improved Halogenation of Methyl Aromatics and Methyl Heteroaromatics: Unexpected Reactivity of Tetrahalogeno-diphenylglycolurils
Moretti, Florian; et al, Heteroatom Chemistry, 2016, 27(3), 173-183

合成路线:1 步

反应条件:
参考文献:
Chloromethylation of alkylbenes catalyzed by sulfonic ammonium
Shang, Jie; et al, Fenzi Cuihua, 2010, 24(4), 333-338

合成路线:1 步

反应条件:
参考文献:
Aromatic Cation Activation: Nucleophilic Substitution of Alcohols and Carboxylic Acids
Nguyen, Thanh V.; et al, Organic Letters, 2014, 16(6), 1720-1723

合成路线:2 步

反应条件:
参考文献:
One-pot synthesis of multisubstituted propenylbenzenes from benzyl chlorides through relay catalysis of palladium
Wang, Haiyu; et al, Organic & Biomolecular Chemistry, 2023, 21(29), 6034-6038

合成路线:1 步

反应条件:
参考文献:
Rare earth metal triflates as versatile catalysts for the chloromethylation of aromatic hydrocarbons
Kishida, Toru; et al, Green Chemistry, 2004, 6(1), 57-62

合成路线:1 步

反应条件:
参考文献:
Chloromethylation of Aromatic Compounds Catalyzed by Surfactant Micelles in Oil-Water Biphasic System
Liu, Qifa; et al, Catalysis Letters, 2009, 131(3-4), 485-493

合成路线:1 步

反应条件:
参考文献:
Aromatic spiranes. XX. Syntheses of dimethylsubstituted 2-carboxymethyl-indan-1-ones and benzylchlorides as synthones for synthesis of di- to tetramethylsubstituted spirobiindandiones
Neudeck, H. K., Monatshefte fuer Chemie, 1996, 127(2), 185-200

合成路线:1 步

反应条件:
参考文献:
Chlorination and oxidation products formed from 1,2,4-trimethylbenzene in aqueous solution under the action of chlorine dioxide
Khasanova, Z. R.; et al, Russian Journal of Applied Chemistry, 2007, 80(7), 1105-1110

合成路线:1 步

反应条件:
参考文献:
An experimental and theoretical study on imidazolium-based ionic liquid promoted chloromethylation of aromatic hydrocarbons
Wang, Yun; et al, Journal of the Chilean Chemical Society, 2013, 58(4), 2196-2199

合成路线:1 步

反应条件:
参考文献:
Strong Organic Acids as Efficient Catalysts for the Chloromethylation of m-Xylene: The Synthesis of 1,3-bis(Chloromethyl)-4,6-dimethylbenzene
Kishida, Tohru; et al, Industrial & Engineering Chemistry Research, 2009, 48(4), 1831-1839

合成路线:1 步

反应条件:
参考文献:
Ir-Catalyzed Asymmetric and Regioselective Hydrogenation of Cyclic Allylsilanes and Generation of Quaternary Stereocenters via the Hosomi-Sakurai Allylation
Rabten, Wangchuk; et al, Chemistry - A European Journal, 2018, 24(7), 1681-1685

合成路线:1 步

反应条件:
参考文献:
An inexpensive and convenient procedure for chloromethylation of aromatic hydrocarbons by phase transfer catalysis in aqueous media
Hu, Yu Lin; et al, Journal of the Chilean Chemical Society, 2010, 55(1), 97-102

合成路线:1 步

反应条件:
参考文献:
Rare-earth metal triflates. An environment conscious catalyst for the chloromethylation of aromatic hydrocarbons
Kishida, Toru; et al, Transactions of the Materials Research Society of Japan, 2004, 29(5), 2203-2206

合成路线:1 步

参考文献:
Aromatic ketoethers. Condensation products of 4,4'-dihydroxybenzophenone with methylchloride compounds
Iovu, Mircea; et al, Revistade Chimie (Bucharest, 1981, 32(6), 548-55

合成路线:1 步

反应条件:
参考文献:
Synthesis of benzyl chlorides and diarylmethanes via coupled reactions of methylarenes with carbon tetrachloride in the presence of manganese- and molybdenum-containing catalysts
Khusnutdinov, R. I.; et al, Neftekhimiya, 2004, 44(4), 293-300

合成路线:1 步

反应条件:
参考文献:
Arylmethyl isocyanates
Kozhushko, B. N.; et al, Zhurnal Organicheskoi Khimii, 1984, 20(4), 721-7
相关文献
专业数据库参考
PubChemId 69989
参考资料
Reaxys RN 742366
化合物详情(旧版)

SMILES

ClCC1=C(C)C=C(C)C=C1

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