3,4-二溴噻吩-2-羧醛

3,4-Dibromothiophene-2-carbaldehyde

HCID 12559528CAS 32896-02-9

子结构检索查找相似结构

基本信息

标准SMILES: O=Cc1scc(Br)c1Br
InChIKey: QCCFUWPEUHXQMH-UHFFFAOYSA-N
分子式: C5H2Br2OS
平均分子量: 269.94 g/mol
单同位素质量: 267.81930988

名称与标识

首选名称: 3,4-Dibromothiophene-2-carbaldehyde
IUPAC: 3,4-dibromothiophene-2-carbaldehyde
中文名: 3,4-二溴噻吩-2-羧醛
英文名: 3,4-Dibromothiophene-2-carboxaldehyde
分子式: C5H2Br2OS
分子量: 269.94

名称与别名

3,4-Dibromothiophene-2-carbaldehyde32896-02-9DTXSID60502550RefChem:270811DTXCID50453360803-661-03,4-Dibromothiophene-2-carboxaldehyde3,4-dibromo-2-thiophenecarbaldehydeMFCD082818752-Thiophenecarboxaldehyde, 3,4-dibromo-SCHEMBL12354763,4-dibromo-2-thiophenealdehyde

展开更多名称

3,4-二溴噻吩-2-羧醛3,4-二溴噻吩-2-甲醛3,4-二溴噻吩-2-羧醛3,4-DIBROMO-2-THIOPHENEALDEHYDED900063,4-dibromo-2-Thiophenecarboxaldehyde3,4-Dibromothiophene-2-carboxaldehyde 97%3,4-Dibromothiophene-2-carboxaldehyde, CAS 32896-02-9

XH1302AKOS000277880DA-24773SY0598623,4-Dibromothiophene-2-carboxaldehyde, 97%CS-0193862EN300-1255696Y-0851

数据库标识

CAS: 32896-02-9
PubChem CID: 12559528
DTXSID: DTXSID60502550
EC Number: 803-661-0

性质

结构计算性质

XLogP: 2.8
极性表面积: 45.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 120

物理化学性质

熔点: 107 · 107-111°C
沸点: 305.4 · 305.4±37.0 °C(Predicted)
密度: 2.195 · 2.195±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C, stored under nitrogen
形态: powder
外观: Light yellow to yellow Solid
InChI: 1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H
InChIKey: QCCFUWPEUHXQMH-UHFFFAOYSA-N
SMILES: Brc1csc(C=O)c1Br

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全数据

wgk: 3
包装类别: Ⅲ
危险等级: 6.1
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
安全说明: 26
危险品标志: Xn
危险性类别: Acute Tox. 3 OralEye Irrit. 2
危险类别码: 22-36
危险品运输编号: 2811