2,3,4-三溴噻吩

2,3,4-Tribromothiophene

HCID 76593CAS 3141-25-1

子结构检索查找相似结构

基本信息

标准SMILES: Brc1csc(Br)c1Br
InChIKey: ZDXQFDMBZUQHOM-UHFFFAOYSA-N
分子式: C4HBr3S
平均分子量: 320.83 g/mol
单同位素质量: 317.73490733

名称与标识

首选名称: 2,3,4-Tribromothiophene
IUPAC: 2,3,4-tribromothiophene
中文名: 2,3,4-三溴噻吩
英文名: 2,3,4-Tribromothiophene
分子式: C4HBr3S
分子量: 320.83

名称与别名

2,3,4-Tribromothiophene3141-25-1EINECS 221-545-2DTXSID90185335RefChem:81306DTXCID00107826221-545-2ZDXQFDMBZUQHOM-UHFFFAOYSA-NThiophene, 2,3,4-tribromo-tribromothiopheneMFCD00041210BUTTPARK 29\09-41

展开更多名称

氯吡格雷杂质1132,3,4-三溴噻吩2,3,4-三溴噻吩,97%Acenocoumarol Impurity 182,3,4-TRIBROMOTHIOPHENE 95%carbamic acid [carbamoyloxymethyl(dimethyl)silyl]methyl ester

3,4,5-tribromothiophene9J2JT725UESCHEMBL1177678SCHEMBL16293672,3,4-Tribromothiophene,97%SALOR-INT L132055-1EACS1035AKOS015834939

数据库标识

CAS: 3141-25-1
PubChem CID: 76593
DTXSID: DTXSID90185335
UNII: 9J2JT725UE
EC Number: 221-545-2
Nikkaji: J150.841E

性质

结构计算性质

XLogP: 4
极性表面积: 28.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 87.4

实验与物化性质

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学性质

熔点: 43 · 43-45°C
沸点: 150 · 150-152°C 20mm
密度: 2.516 · 2.516±0.06 g/cm3(Predicted)
闪点: 150 · 150-152°C/20mm
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外观: White to off-white Solid
BRN: 111770 · 111770
CAS 数据库: 3141 · 3141-25-1(CAS DataBase Reference)
NIST化学物质信息: 2 · 2,3,4-Tribromothiophene(3141-25-1)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.