4-브로모-3,5-DIMETHOXYBENZYL알코올

(4-Bromo-3,5-dimethoxyphenyl)methanol

HCID 11149289

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61367-62-2
표준 SMILES: COc1cc(CO)cc(OC)c1Br
InChIKey: TYICCDYGCBAFCB-UHFFFAOYSA-N
분자식: C9H11BrO3
평균 분자량: 247.09 g/mol
단동위원소 질량: 245.98915631

이름 및 식별자

우선 이름: (4-Bromo-3,5-dimethoxyphenyl)methanol
IUPAC: (4-bromo-3,5-dimethoxyphenyl)methanol
현지명: 4-브로모-3,5-DIMETHOXYBENZYL알코올
영어명: 4-Bromo-3,5-dimethoxybenzyl alcohol
분자식: C9H11BrO3
분자량: 247.09

이름 및 동의어

(4-bromo-3,5-dimethoxyphenyl)methanolRefChem:402504820-817-34-Bromo-3,5-dimethoxybenzyl alcohol61367-62-24-Bromo-3,5-dimethoxybenzylalcoholBenzenemethanol, 4-bromo-3,5-dimethoxy-MFCD06658150SCHEMBL918659DTXSID40456981(4-bromo-3,5-dimethoxy-phenyl)methanol4-Bromo-3,5-dimethoxy-phenyl)-methanol

이름 더 보기

4-브로모-3,5-DIMETHOXYBENZYL알코올5-DIMETHOXYBENZYL ALCOHOL4-Bromo-3,5-dimethoxybenzyl alcohol 98%

(4-bromo-3,5-dimethoxyphenyl)methan-1-ol4-bromo-3,5-dimethoxyphen4-Bromo-35-dimethoxybenzyl alcoholSBB0631054-Bromo-3,5-dimethoxybenzenemethanolAKOS015888144FB70812(4-bromo-3,5-dimethoxy-phenyl)-methanol

데이터베이스 식별자

CAS: 61367-62-2
PubChem CID: 11149289
DTXSID: DTXSID40456981
EC Number: 820-817-3
Nikkaji: J1.348.149K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 100 · 100-102℃
끓는 점: 348.1 · 348.1±37.0 °C(Predicted)
밀도: 1.475 · 1.475±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.85 · 13.85±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.