3,4-二氯苯甲基磺酰氯

Benzenesulfonyl chloride, 3,4-dichloro-

HCID 7383CAS 98-31-7

子结构检索查找相似结构

基本信息

标准SMILES: O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1
InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N
分子式: C6H3Cl3O2S
平均分子量: 245.5 g/mol
单同位素质量: 243.89193338

名称与标识

首选名称: Benzenesulfonyl chloride, 3,4-dichloro-
IUPAC: 3,4-dichlorobenzenesulfonyl chloride
中文名: 3,4-二氯苯甲基磺酰氯
英文名: 3,4-DICHLOROBENZENESULFONYL CHLORIDE
分子式: C6H3Cl3O2S
分子量: 245.51

名称与别名

3,4-DICHLOROBENZENESULFONYL CHLORIDE98-31-7Benzenesulfonyl chloride, 3,4-dichloro-AI3-19279NSC 2651EINECS 202-656-53,4-dichlorobenzene-sulfonyl chlorideDTXSID5059165RefChem:118100DTXCID8049048NYIBPWGZGSXURD-UHFFFAOYSA-N3,4-Dichlorobenzene-1-Sulfonyl Chloride

展开更多名称

3,4-二氯苯磺酰氯3,4-二氯代苯磺酰氯3,4-二氯苯甲基磺酰氯3,4-二氯苯磺酰氯,98%3,4-二氯苯甲基磺酰氯 100G3,4 - 二氯苯- 1 -磺酰氯3,4-二氯代苯磺酰氯(CAS号:98-31-7)3,4-二氯苯磺酰氯3,4-DICHLOROBENZENESULFONYL CHLORIDE3,4-DICHLOROBENZENES3,4-dichloro-benzenesulfonylchlorid3,4-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,4-dichloro-3,4-Dichlorobenzenesulfonyl chloride,98%3,4-Dichlorobenzenesulfonic acid chloride

3,4-Dichlorobenzenesulphonyl chloride3,4-Dichlorophenylsulfonyl chloride3,4-dichlorobenzenesulfonylchlorideMFCD000412553,4-dichloro-benzenesulfonyl chlorideNSC-2651(3,4-dichlorophenyl)chlorosulfone3,4-dichloro benzene sulfonyl chloride

数据库标识

CAS: 98-31-7
PubChem CID: 7383
DTXSID: DTXSID5059165
UNII: AX3AD43WDD
EC Number: 202-656-5
Nikkaji: J134.695D

性质

结构计算性质

XLogP: 3.4
极性表面积: 42.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 246

实验与物化性质

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学性质

熔点: 20 · 20-22°C
沸点: 253 °C · 253 °C(lit.)
密度: 1.572 g/mL · 1.572 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.589(lit.)
闪点: 135 °F · 135 °F
储存条件: Inert atmosphere,Room Temperature
形态: powder to lump to clear liquid
颜色: White or Colorless to Almost white or Almost colorless
敏感性: Moisture Sensitive
BRN: 1956417 · 1956417
InChI: 1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)S(Cl)(=O)=O
CAS 数据库: 98 · 98-31-7(CAS DataBase Reference)
EPA化学物质信息: 3 · Benzenesulfonyl chloride, 3,4-dichloro- (98-31-7)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.