3-(Chlorocarbonyl)phenyl acetate

HCID 12998558CAS 16446-73-4

基本情報

標準SMILES: CC(=O)Oc1cccc(C(=O)Cl)c1
InChIKey: NCOUTKLISVDYKS-UHFFFAOYSA-N
分子式: C9H7ClO3
平均分子量: 198.6 g/mol
単同位体質量: 198.00837176

名称と識別子

優先名称: 3-(Chlorocarbonyl)phenyl acetate
IUPAC: (3-carbonochloridoylphenyl) acetate

名称と別名

3-(chlorocarbonyl)phenyl acetate16446-73-4DTXSID00514632RefChem:275251DTXCID60465439Benzoyl chloride, 3-(acetyloxy)-(3-carbonochloridoylphenyl) acetatem-acetoxybenzoyl chlorideMFCD09836723starbld00226963-(CARBONOCHLORIDOYL)PHENYL ACETATE3-acetoxybenzoyl chloride

名称をさらに表示

SCHEMBL5397333-acetoxybenzoic acid chlorideNCOUTKLISVDYKS-UHFFFAOYSA-N3-(Acetoxy)benzoyl chloride, 97%AKOS005067655acetic acid 3-chlorocarbonyl-phenyl esterSY261871

データベース識別子

CAS: 16446-73-4
PubChem CID: 12998558
DTXSID: DTXSID00514632
EC Number: 689-448-1
Nikkaji: J674.224F

物性

構造計算による物性

XLogP: 2.2
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 215

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.