四溴噻吩

Tetrabromothiophene

HCID 77565CAS 3958-03-0

子结构检索查找相似结构

基本信息

标准SMILES: Brc1sc(Br)c(Br)c1Br
InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
分子式: C4Br4S
平均分子量: 399.73 g/mol
单同位素质量: 395.6454194

名称与标识

首选名称: Tetrabromothiophene
IUPAC: 2,3,4,5-tetrabromothiophene
中文名: 四溴噻吩
英文名: Tetrabromothiophene
分子式: C4Br4S
分子量: 399.72

名称与别名

Tetrabromothiophene3958-03-02,3,4,5-TetrabromothiopheneNSC 65427EINECS 223-554-7DTXSID40192695RefChem:188399Thiophene, tetrabromo-(8CI)DTXCID80115186Thiophene, tetrabromo-(8CI)(9CI)223-554-7AVPWUAFYDNQGNZ-UHFFFAOYSA-N

展开更多名称

四溴噻酚四溴噻吩5-四溴噻吩四溴噻酚,99%2,3,4,5-四溴噻吩2,3,4,5-四溴噻吩97%2,3,4,5-四溴噻吩 14G2,3,4,5-四溴噻吩(C4BR4S)四溴噻吩/Tetrabromothiophene四溴噻吩/TetrabromothiopheneS0506TH-4BrAKOS 93380TetrabromthiophenTetrabromothiophene3Tetrabromothiophene 98%Tetrabromothiophene ,98%

PerbromothiopheneThiophene, tetrabromo-MFCD00005419Thiophene, 2,3,4,5-tetrabromo-NSC65427NSC-65427AKOS000282033AC-4924

数据库标识

CAS: 3958-03-0
PubChem CID: 77565
DTXSID: DTXSID40192695
ChEMBL: CHEMBL87453
EC Number: 223-554-7
Nikkaji: J25.415K

性质

结构计算性质

XLogP: 5
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: 9
形式电荷: 0
复杂度: 96.7

实验与物化性质

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学性质

熔点: 116 · 116-118 °C (lit.)
沸点: 326 °C · 326 °C (lit.)
密度: 2.836 · 2.836 (estimate)
闪点: 324 · 324-327°C
储存条件: Keep in dark place,Sealed in dry,Room Temperature
形态: Crystalline Powder
颜色: Cream to brown
水溶解性: Insoluble in water. Soluble in organic solvents.
BRN: 383664 · 383664
InChI: InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
SMILES: C1(Br)SC(Br)=C(Br)C=1Br
CAS 数据库: 3958 · 3958-03-0(CAS DataBase Reference)
NIST化学物质信息: Thiophene, tetrabromo-(3958-03-0)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationThiophene, tetrabromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (25%)

安全数据

wgk: 3
hazard_note: Irritant
危险等级: LIGHT SENSITIVE
存储类别: 13 - Non Combustible Solids
安全说明: 24/25
海关编码: 29349990
危险品标志: Xi
危险类别码: 36/37/38

化学与工业

上下游产品信息

下游产品

2,3,4-三溴噻吩 2,3,5-三溴噻吩 3,4-二溴噻吩四苯基噻吩 2-溴噻吩 3,4,5-三溴-2-噻吩甲酸

试剂价格

A13009 · 100g: 四溴噻酚, 99%Tetrabromothiophene, 99% — 2582元
T1149 · 5G: 四溴噻吩Tetrabromothiophene — 70元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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