메틸3-브로모-2-브로모메틸벤조에이트

Methyl 3-bromo-2-(bromomethyl)benzoate

HCID 21907554

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 337536-14-8
표준 SMILES: COC(=O)c1cccc(Br)c1CBr
InChIKey: WMILMIDBWBQPAB-UHFFFAOYSA-N
분자식: C9H8Br2O2
평균 분자량: 307.97 g/mol
단동위원소 질량: 305.8891037

이름 및 식별자

우선 이름: Methyl 3-bromo-2-(bromomethyl)benzoate
IUPAC: methyl 3-bromo-2-(bromomethyl)benzoate
현지명: 메틸3-브로모-2-브로모메틸벤조에이트
영어명: Methyl 3-bromo-2-bromomethylbenzoate
분자식: C9H8Br2O2
분자량: 307.97

이름 및 동의어

methyl 3-bromo-2-(bromomethyl)benzoate337536-14-8DTXSID90619887RefChem:354884DTXCID90570641839-481-4METHYL 3-BROMO-2-BROMOMETHYLBENZOATEMethyl 3-bromo-2-bromomethyl-benzoate3-Bromo-2-bromomethyl-benzoic acid methyl esterMFCD06804569Benzoic acid, 3-bromo-2-(bromomethyl)-, methyl esterSCHEMBL436238

이름 더 보기

메틸3-브로모-2-브로모메틸벤조에이트3-bromo-2-bromethyl benzoate3-broMo-2-broMoMethylbenzoate3-Bromo-2-bromomethylbenzoate methyl ester

3-BROMO-2-BROMOMETHYLBENZOIC ACID METHYL ESTERSCHEMBL30041782WMILMIDBWBQPAB-UHFFFAOYSA-NAR3734AKOS015890304methyl3-bromo-2-(bromomethyl)benzoateAB30419AC-9420

데이터베이스 식별자

CAS: 337536-14-8
PubChem CID: 21907554
DTXSID: DTXSID90619887
EC Number: 839-481-4

물성

구조 계산 물성

XLogP: 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: 184

물리화학적 성질

끓는 점: 344.9 · 344.9±32.0 °C(Predicted)
밀도: 1.78 · 1.780
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 노란색
InChI: InChI=1S/C9H8Br2O2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3
InChIKey: WMILMIDBWBQPAB-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(Br)=C1CBr

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.