2-Bromobenzyl alcohol

HCID 72850CAS 18982-54-2

기본 정보

표준 SMILES: OCc1ccccc1Br
InChIKey: IOWGHQGLUMEZKG-UHFFFAOYSA-N
분자식: C7H7BrO
평균 분자량: 187.03 g/mol
단동위원소 질량: 185.96802694

이름 및 식별자

우선 이름: 2-Bromobenzyl alcohol
IUPAC: (2-bromophenyl)methanol
영어명: 2-Bromobenzyl alcohol
분자식: C7H7BrO
분자량: 187.03

이름 및 동의어

2-Bromobenzyl alcohol18982-54-2XH9B68J1KGDTXSID80172411RefChem:1062493DTXCID4094902242-719-4(2-Bromophenyl)methanolBenzenemethanol, 2-bromo-o-Bromobenzyl alcohol2-bromobenzylalcoholMFCD00004600

이름 더 보기

RARECHEM AL BD 00142-BromobenzylalkoholO-broMophenolMethanol2-Bromobenzenemethanol2-Bromobenzylalcohol98%2-broMinebenzyl alcohol2-BromobenzylAlcohol>

EINECS 242-719-4Benzyl alcohol, o-bromo-(2-Bromophenyl)methanol #(2-bromophenyl)methan-1-olAC-16251-BROMO-2-(HYDROXYMETHYL)BENZENEEN300-78245Q27454734

데이터베이스 식별자

CAS: 18982-54-2
PubChem CID: 72850
DTXSID: DTXSID80172411
UNII: XH9B68J1KG
EC Number: 242-719-4
Nikkaji: J149.812F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

LogP2.08

Physical DescriptionBeige crystals; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 78 · 78-80 °C (lit.)
끓는 점: 220.79 °C · 220.79°C (rough estimate)
밀도: 1.3839 · 1.3839 (rough estimate)
굴절률: 1.584 · 1.5840 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13.95 · 13.95±0.10(Predicted)
색상: 하얀색
BRN: 2243418 · 2243418
InChI: InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: IOWGHQGLUMEZKG-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC=C1Br

화학적 성질

WHITE TO BEIGE CRYSTALLINE POWDER OR NEEDLES

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See Benzyl alcohol.

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

안전 데이터

wgk: 3
HS 번호: 29062900
risk_code: 52/53-22
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Bromobenzyl alcohol was used in microwave assisted palladium-catalyzed synthesis of phthalides. It was also used in the synthesis of 1-hydroxy-3(1H)-l,2-benzoboroxole.