CAS 110017-07-7 Benzoic acid, 4-(bromomethyl)-2-ethoxy-, ethyl ester (HCID 10589339)

기본 정보

CAS: 110017-07-7
표준 SMILES: CCOC(=O)c1ccc(CBr)cc1OCC
InChIKey: JLPBJYKWFFSDEI-UHFFFAOYSA-N
분자식: C12H15BrO3
평균 분자량: 287.15 g/mol
단동위원소 질량: 286.02046

이름 및 식별자

우선 이름: Benzoic acid, 4-(bromomethyl)-2-ethoxy-, ethyl ester
IUPAC: ethyl 4-(bromomethyl)-2-ethoxybenzoate
영어명: Benzoic acid, 4-(bromomethyl)-2-ethoxy-, ethyl ester
분자식: C12H15BrO3
분자량: 287.15

이름 및 동의어

110017-07-7Benzoic acid, 4-(bromomethyl)-2-ethoxy-, ethyl esterRefChem:1184344-Bromomethyl-2-ethoxy benzoic acid ethyl ester600-941-2ethyl 4-bromomethyl-2-ethoxy-benzoateethyl 4-(bromomethyl)-2-ethoxybenzoateRepaglinide Impurity 17SCHEMBL1515826JLPBJYKWFFSDEI-UHFFFAOYSA-NDTXSID501218867DB-370399

이름 더 보기

Ethyl-4-bromo methyl-2-ethoxy benzoate

4-(bromomethyl)-2-ethoxybenzoic acid ethyl ester

데이터베이스 식별자

CAS: 110017-07-7
PubChem CID: 10589339
DTXSID: DTXSID501218867
EC Number: 600-941-2

물성

구조 계산 물성

XLogP: 3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 220

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.