2-Amino-4-Bromophenol

HCID 351840CAS 40925-68-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1cc(Br)ccc1O
InChIKey
JHRIPENGTGSNPJ-UHFFFAOYSA-N
분자식
C6H6BrNO
평균 분자량
188.02 g/mol
단동위원소 질량
186.96327591

이름 및 식별자

우선 이름
2-Amino-4-Bromophenol
IUPAC
2-amino-4-bromophenol
영어명
2-Amino-4-bromophenol
분자식
C6H6BrNO
분자량
188.02

이름 및 동의어

2-Amino-4-BromophenolDTXSID00326075RefChem:464252DTXCID60277190627-173-040925-68-6Phenol, 2-amino-4-bromo-5-Bromo-2-hydroxyanilineMFCD002351712-amino-4-bromo-phenol4-BROMO-2-AMINOPHENOLNSC523846
이름 더 보기
NSC 5238462-Ami-4-bromophelAmino-4-bromophenolTIMTEC-BB SBB0021142-AMINO-4-BROMOPHENOLE2-azanyl-4-bromo-phenol
2-amino-4bromophenol2-AMINO4-BROMOPHENOLSCHEMBL282322orb31811062-Amino-4-bromophenol, >=94%STR08168SBB002114STK399763

데이터베이스 식별자

CAS
40925-68-6
PubChem CID
351840
DTXSID
DTXSID00326075
EC Number
627-173-0
Nikkaji
J89.384F

물성

구조 계산 물성

XLogP
1.9
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

물리화학적 성질

녹는점
135 · 135-140°C
끓는 점
282.8 · 282.8±25.0 °C(Predicted)
밀도
1.768 · 1.768±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
9.19 · 9.19±0.18(Predicted)
물리적 상태
powder to crystal

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

안전 데이터

wgk
3
HS 번호
29222990
risk_code
20/21/22-36/37/38-42/43-22
hazard_code
Xi,Xn
safety_code
26-36/37/39-36/37-22
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 2건

개요2-Amino-4-bromophenol is a reactant for the preparation of (aryl)oxadiazolobenzoxazinones via Suzuki-Miyaura reaction, copper-catalyzed oxidative amination of benzoxazoles and related azoles via C-H and C-N bond activation synthesis of N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as protein tyrosine phophatase 1B inhibitors,preparation of lipophilic deoxy-xylulose-phosphate reductoisomerase inhibitors,synthesis of benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.

용도Reactant for:Preparation of (aryl)oxadiazolobenzoxazinones via Suzuki-Miyaura reactionCopper-catalyzed oxidative amination of benzoxazoles and related azoles via C-H and C-N bond activationSynthesis of N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as protein tyrosine phophatase 1B inhibitorsPreparation of lipophilic deoxy-xylulose-phosphate reductoisomerase inhibitorsSynthesis of benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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