Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate

HCID 53395294CAS 946-99-6

기본 정보

표준 SMILES: COC(=O)C=Cc1ccc(CBr)cc1
InChIKey: ZSRCGGBALFGALF-UHFFFAOYSA-N
분자식: C11H11BrO2
평균 분자량: 255.11 g/mol
단동위원소 질량: 253.99424169

이름 및 식별자

우선 이름: Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate
IUPAC: methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate

이름 및 동의어

Methyl 3-[4-(bromomethyl)phenyl]-2-propenoateMethyl 3-(4-(bromomethyl)phenyl)-2-propenoateRefChem:354671946-99-6methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate4-bromomethyl cinnamateOzagrel Impurity 642-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl esterMethyl 3-(4-bromomethyl)SCHEMBL1125372ZSRCGGBALFGALF-UHFFFAOYSA-NDTXSID401250638

이름 더 보기

AKOS025243928DS-017545F8692964-Bromomethylcinnamic acid methyl ester; 3-(4-Brommethyl)-phenyl-propenoic acid methyl ester

데이터베이스 식별자

CAS: 946-99-6
PubChem CID: 53395294
DTXSID: DTXSID401250638
EC Number: 619-059-4

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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