2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one

HCID 11334055

기본 정보

CAS
62932-94-9
표준 SMILES
O=C(CBr)c1ccc(O)c(CO)c1
InChIKey
XWRBIXFTHXFQKC-UHFFFAOYSA-N
분자식
C9H9BrO3
평균 분자량
245.07 g/mol
단동위원소 질량
243.97350625

개요

See other relationships...

이름 및 식별자

우선 이름
2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one
IUPAC
2-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone
영어명
2-Bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethan-1-one
분자식
C9H9BrO3
분자량
245.07

이름 및 동의어

2-BROMO-1-[4-HYDROXY-3-(HYDROXYMETHYL)PHENYL]ETHAN-1-ONE2-bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-oneDTXSID60462701RefChem:1062425DTXCID5041352062932-94-92-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanoneMFCD189761572-Bromo-1-[4-hydroxy-3-(hydroxymethyl) phenyl]ethan-1-oneSCHEMBL4696492-bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanoneAS-32303
이름 더 보기
BNKY006-SX032-broMo-1-[4-hydroxy-3-(hydroxy2-Bromo-4′-Hydroxy-3′- (hydroxymethyl)2-Bromo-4-hydroxy-3-(hydroxymethyl)acetophenone2-Bromo-4'-hydroxy-3'-(hydroxymethyl)acetophenone2-Bromo-1- [4-hydroxy-3- (hydroxymethyl) phenyl] ethyl-1-oneCAS62932-94-9 2-BROMO-1-[4-HYDROXY-3-(HYDROXYMETHYL)PHENYL]ETHAN-1-ONE
Ethanone, 2-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-AMY7265BCP32818Ethanone, 2-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-; 2-Bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone; 2-Bromo-4'-hydroxy-3'-(hydroxymethyl)acetophenone; GR 46449X; Salmeterol dihydroxybromoketone;2-Bromo-4-hydroxy-3-(hydroxymethyl)FT-0709541SCHEMBL30017193CS-M2583

데이터베이스 식별자

CAS
62932-94-9
PubChem CID
11334055
DTXSID
DTXSID60462701
Nikkaji
J1.664.829I

물성

구조 계산 물성

XLogP
1.5
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
13

물리화학적 성질

녹는점
128 · 128-131°C
끓는 점
349.4 · 349.4±11.0 °C(Predicted)
밀도
1.674 · 1.674±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer, Under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
7.69 · 7.69±0.20(Predicted)

안전 및 규제

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H314

화학 및 산업

제조 방법

Obtained by treatment of its diacetate with 1 N hydrogen bromide in tetrahydrofuran at 75°.

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]

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