4-브로모메틸벤조일브로마이드96

4-Bromomethyl benzoyl bromide

HCID 4640671CAS 876-07-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Br)c1ccc(CBr)cc1
InChIKey: VUYGJYAPDGKPBF-UHFFFAOYSA-N
분자식: C8H6Br2O
평균 분자량: 277.94 g/mol
단동위원소 질량: 275.87853901

이름 및 식별자

우선 이름: 4-Bromomethyl benzoyl bromide
IUPAC: 4-(bromomethyl)benzoyl bromide
현지명: 4-브로모메틸벤조일브로마이드96
영어명: 4-Bromomethyl benzoyl bromide 96
분자식: C8H6Br2O
분자량: 277.94

이름 및 동의어

4-Bromomethyl benzoyl bromide876-07-3DTXSID60405113RefChem:291119DTXCID60355967627-805-54-(bromomethyl)benzoyl Bromide4-Bromomethylbenzoylbromide4-Bromomethyl benzoyl bromide, 96%4-BROMOMETHYLBENZOYL BROMIDE4-bromomethyl benzoylbromideSCHEMBL35800

이름 더 보기

4-브로모메틸벤조일브로마이드964-Bromomethyl benzoyl bromide 96Benzoyl bromide, 4-(bromomethyl)-4-Bromomethyl benzoyl bromide 96%

4-Bromomethyl-benzoyl bromideVUYGJYAPDGKPBF-UHFFFAOYSA-NMFCD00045026AKOS015889346H52875

데이터베이스 식별자

CAS: 876-07-3
PubChem CID: 4640671
DTXSID: DTXSID60405113
EC Number: 627-805-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 57 · 57-61 °C (lit.)
끓는 점: 100 · 100-112 °C/0.5 mmHg (lit.)
물리적 상태: 융합된 고체
색상: 하얀색
InChI: 1S/C8H6Br2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey: VUYGJYAPDGKPBF-UHFFFAOYSA-N
SMILES: BrCc1ccc(cc1)C(Br)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1A (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 35
hazard_code: C
safety_code: 26-27-36/37/39
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1A
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Bromomethyl benzoyl bromide may be used in the preparation of 4-(bromomethyl)-N-[(S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]benzamide and α-methoxy-ω-4-(bromomethyl) benzoic acid ester-poly(ethylene glycol) 2000.

일반 설명4-Bromomethyl benzoyl bromide is a para-substituted benzoyl bromide.