4-브로모메틸벤질알코올

4-(Bromomethyl)benzyl alcohol

HCID 10330434

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71831-21-5
표준 SMILES: OCc1ccc(CBr)cc1
InChIKey: RDHSYXFAOVTAEH-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 4-(Bromomethyl)benzyl alcohol
IUPAC: [4-(bromomethyl)phenyl]methanol
현지명: 4-브로모메틸벤질알코올
영어명: 4-BROMO METHYLBENZYL ALCOHOL
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

4-(bromomethyl)benzyl alcoholRefChem:515418817-177-2(4-(BROMOMETHYL)PHENYL)METHANOL71831-21-5[4-(bromomethyl)phenyl]methanol4-Bromomethylbenzyl alcohol4-BROMO METHYLBENZYL ALCOHOLMFCD08275218SCHEMBL5067954-(Bromomethyl)benzenemethanol(4-bromomethyl-phenyl)-methanol

이름 더 보기

4-브로모메틸벤질알코올4-bromethylbenzenemethylol1-bromomethyl-4-hydroxymethyl benzene

(4-(Bromomethyl)phenyl)methan-1-olDS-16455SY110926Benzenemethanol, 4-(bromomethyl)-4-BromomethylbenzylalcoholFT-06905544-(bromomethyl)benzylalcoholA856468

데이터베이스 식별자

CAS: 71831-21-5
PubChem CID: 10330434
DTXSID: DTXSID50438192
EC Number: 817-177-2
Nikkaji: J1.925.258B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

녹는점: 76 · 76-77℃
끓는 점: 287.9 · 287.9±20.0 °C(Predicted)
밀도: 1.514 · 1.514±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.26 · 14.26±0.10(Predicted)
색상: 회백색
InChI: InChI=1S/C8H9BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKey: RDHSYXFAOVTAEH-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(CBr)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.