CAS 177787-26-7 3,4,5-三氟苯甲酰氯 (HCID 2777023)

基本信息

CAS: 177787-26-7
标准SMILES: O=C(Cl)c1cc(F)c(F)c(F)c1
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
分子式: C7H2ClF3O
平均分子量: 194.54 g/mol
单同位素质量: 193.9746269

名称与标识

首选名称: 3,4,5-Trifluorobenzoyl chloride
IUPAC: 3,4,5-trifluorobenzoyl chloride
中文名: 3,4,5-三氟苯甲酰氯
英文名: 3,4,5-Trifluorobenzoyl chloride
分子式: C7H2ClF3O
分子量: 194.54

名称与别名

3,4,5-Trifluorobenzoyl chloride3,4,5-trifluorobenzoylchloride17787-26-7DTXSID60938991RefChem:485709DTXCID601367504623-691-6671-453-5177787-26-7Benzoyl chloride, 3,4,5-trifluoro-MFCD00083526starbld0001660

展开更多名称

拉米地坦杂质503,4,5-三氟苯甲酰氯3,4,5-三氟苯甲酰氯,97%SKL1228Lasmiditan Impurity 503,4,5-Trifluorobenzoyl chloride 97%Benzoyl chloride, 3,4,5-trifluoro- (9CI)

3 4 5-TRIFLUOROBENZOYL CHLORIDE 97SCHEMBL193908PS-10696D94577Benzoyl chloride,3,4,5-trifluoro-FT-0614142A8122977-(5-amino-5-carboxyvaleramido)cephalosporanicacid

数据库标识

CAS: 177787-26-7、17787-26-7
PubChem CID: 2777023
DTXSID: DTXSID60938991
EC Number: 623-691-6、671-453-5
Nikkaji: J3.588.010K

性质

结构计算性质

XLogP: 2.7
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 175

物理化学性质

熔点: 122 · 122-123℃
沸点: 173 · 173-174 °C (lit.)
密度: 1.485 g/mL · 1.4850 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.4900(lit.)
闪点: 154 °F · 154 °F
储存条件: Inert atmosphere,Room Temperature
形态: liquid
颜色: Clear, faint yellow
敏感性: Lachrymatory
InChI: 1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
SMILES: Fc1cc(cc(F)c1F)C(Cl)=O
CAS 数据库: 177787 · 177787-26-7(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.