CAS 74733-28-1 Methyl 4-(bromomethyl)-2-methylbenzoate (HCID 19372658)

기본 정보

CAS: 74733-28-1
표준 SMILES: COC(=O)c1ccc(CBr)cc1C
InChIKey: MABHQNNTZZMWCU-UHFFFAOYSA-N
분자식: C10H11BrO2
평균 분자량: 243.1 g/mol
단동위원소 질량: 241.99424169

이름 및 식별자

우선 이름: Methyl 4-(bromomethyl)-2-methylbenzoate
IUPAC: methyl 4-(bromomethyl)-2-methylbenzoate
현지명: 메틸4-(브로모메틸)-2-메틸벤조에이트
영어명: Methyl 4-(bromomethyl)-2-methylbenzoate
분자식: C10H11BrO2
분자량: 243.1

이름 및 동의어

methyl 4-(bromomethyl)-2-methylbenzoate74733-28-1MFCD27928283methyl4-(bromomethyl)-2-methylbenzoateBenzoic acid, 4-(bromomethyl)-2-methyl-, methyl esterSCHEMBL365955MABHQNNTZZMWCU-UHFFFAOYSA-NDTXSID001279242CS-D0534ZCA73328methyl 4-(bromomethyl)methylbenzoate4-Carbomethoxy-3-methylbenzyl bromide

이름 더 보기

메틸4-(브로모메틸)-2-메틸벤조에이트4-(bromomethyl)-2-methylbenzoic acid methyl ester

AKOS025396345AS-40810methyl 4-(bromomethyl)-2-methyl-benzoateSY046067DB-1061334-bromomethyl-2-methyl-benzoic acid methyl esterEN300-1563127F471604

데이터베이스 식별자

CAS: 74733-28-1
PubChem CID: 19372658
DTXSID: DTXSID001279242
EC Number: 113-518-8
Nikkaji: J3.381.770C

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 182

물리화학적 성질

끓는 점: 295.6 · 295.6±28.0 °C(Predicted)
밀도: 1.404 · 1.404±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.