5-Bromo-2-hydroxybenzyl alcohol (HCID 75342)

이름 및 식별자

우선 이름: 5-Bromo-2-hydroxybenzyl alcohol
IUPAC: 4-bromo-2-(hydroxymethyl)phenol
영어명: 5-Bromo-2-hydroxybenzyl alcohol
분자식: C7H7BrO2
분자량: 203.03

이름 및 동의어

2316-64-55-Bromo-2-hydroxybenzyl alcohol4-Bromo-2-(hydroxymethyl)phenolBromosaligeninBenzyl alcohol, 5-bromo-2-hydroxy-UNII-Y1UZ53815EY1UZ53815EEINECS 219-026-0NSC-13010BROMOSALIGENIN [MI]4-Bromo-2-hydroxymethyl-phenolDTXSID30177739

이름 더 보기

RARECHEM AL BD 00402-HYDROXYMETHYL-4-BROMOPHENOL4-BROMO-2-HYDROXYMETHYLPHENOL5-Bromo-2-hydroxybenzenemethanol5-BROMO-2-HYDROXYBENZYL ALCOHOL 98%5-Bromo-2-hydroxybenzyl Alcohol >

NSC 13010RefChem:102131DTXCID40100230InChI=1/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4HKNKRHSVKIORZQB-UHFFFAOYSA-N5-Bromosalicyl alcohol5-BromosaligeninBenzenemethanol, 5-bromo-2-hydroxy-

데이터베이스 식별자

CAS: 2316-64-5
PubChem CID: 75342
DTXSID: DTXSID30177739
UNII: Y1UZ53815E
EC Number: 219-026-0
Nikkaji: J7.397K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 110 · 110-112 °C (lit.)
끓는 점: 281.8 · 281.8±10.0 °C(Predicted)
밀도: 1.5178 · 1.5178 (rough estimate)
굴절률: 1.462 · 1.4620 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 25 °C에서 · 물: 25°C에서 용해성0.7%(lit.)
물리적 상태: 결정질 분말 또는 플레이크
산도 계수 (pKa): 9.36 · 9.36±0.18(Predicted)
색상: 흰색에서 밝은 갈색까지
수용성: 0.7 % · water: soluble 0.7% at25°C(lit.)olive oil: soluble 4.8%(lit.)alcohol: freely soluble(lit.)benzene: moderately soluble(lit.)chloroform: moderately soluble(lit.)diethyl ether: freely soluble(lit.)ethyl acetate: freely soluble(lit.)hot water: soluble(lit.)
BRN: 509726 · 509726
InChI: 1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey: KNKRHSVKIORZQB-UHFFFAOYSA-N
SMILES: OCc1cc(Br)ccc1O

화학적 성질

white to light brown crystalline powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
HS 번호: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Bromo-2-hydroxybenzyl alcohol was used in the synthesis of:7-bromo-2,3-diphenyl-5H-imidazo[2,1-b][1,3]benzoxazine6-bromo-2-octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide4-bromo-2-(5-iodo-1H-indol-3-ylmethyl)- phenol