2-(브로모메틸)벤질알코올

2-(Bromomethyl)benzyl alcohol

HCID 10943522

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74785-02-7
표준 SMILES: OCc1ccccc1CBr
InChIKey: JDBQNNKIOFSPOA-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 2-(Bromomethyl)benzyl alcohol
IUPAC: [2-(bromomethyl)phenyl]methanol
현지명: 2-(브로모메틸)벤질알코올
영어명: 2-(Bromomethyl)benzyl alcohol, 95%
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

74785-02-72-(Bromomethyl)benzyl alcoholDTXSID50449243RefChem:84603DTXCID80400064664-279-6JDBQNNKIOFSPOA-UHFFFAOYSA-N(2-(Bromomethyl)phenyl)methanol[2-(bromomethyl)phenyl]methanol2-HydroxymethylbenzylbromideMFCD084576422-(Bromomethyl)benzyl alcohol, 95%

이름 더 보기

2-(브로모메틸)벤질알코올BenzeneMethanol, 2-(broMoMethyl)-2-(BroMoMethyl)benzyl alcohol 95%2-(Bromomethyl)benzenemethanol, 2-Hydroxymethylbenzylbromide

o-bromomethylbenzyl alcohol2-hydroxymethylbenzyl bromideSCHEMBL1665373SCHEMBL5750300SCHEMBL27495832SCHEMBL29791054AKOS016011653DS-7002

데이터베이스 식별자

CAS: 74785-02-7
PubChem CID: 10943522
DTXSID: DTXSID50449243
EC Number: 664-279-6
Nikkaji: J1.141.240H

물성

구조 계산 물성

XLogP: 1.6
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: 95.3

물리화학적 성질

녹는점: 66 · 66-68 °C
끓는 점: 279.6 · 279.6±20.0 °C(Predicted)
밀도: 1.514 · 1.514±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.18 · 14.18±0.10(Predicted)
물리적 상태: solid
InChI: InChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2
InChIKey: JDBQNNKIOFSPOA-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC=C1CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 22-34-43-50
hazard_code: C,N
safety_code: 26-28-36/37/39-45-61
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam.Eye Dam. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials