4-Amino-2,6-dibromophenol

HCID 69107CAS 609-21-2

기본 정보

표준 SMILES: Nc1cc(Br)c(O)c(Br)c1
InChIKey: HFYPXERYZGFDBD-UHFFFAOYSA-N
분자식: C6H5Br2NO
평균 분자량: 266.92 g/mol
단동위원소 질량: 264.87378798

이름 및 식별자

우선 이름: 4-Amino-2,6-dibromophenol
IUPAC: 4-amino-2,6-dibromophenol
영어명: 4-Amino-2,6-dibromophenol
분자식: C6H5Br2NO
분자량: 266.92

이름 및 동의어

4-Amino-2,6-dibromophenol609-21-2Phenol, 4-amino-2,6-dibromo-NSC 6217EINECS 210-185-1DTXSID0060567RefChem:97684DTXCID5042900210-185-1HFYPXERYZGFDBD-UHFFFAOYSA-NInChI=1/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2,6-Dibromo-4-aminophenol

이름 더 보기

ASISCHEM U70323TIMTEC-BB SBB0065774-amino-2,6-dibromo-pheno4-hydroxy-3,5-dibromoaniline4-Amino-2,6-dibromophenol,99%1-CYANO-3,5-DIBROMO-4-HYDROXYBENZENE

3,5-Dibromo-4-hydroxyanilineMFCD000078744-amino-2,6-dibromo-phenolNSC62172,6-dibrom-4-aminophenolSCHEMBL951804-Amino-2,6-dibrom-phenol3',5'-Dibromo-4-hydroxyaniline

데이터베이스 식별자

CAS: 609-21-2
PubChem CID: 69107
DTXSID: DTXSID0060567
EC Number: 210-185-1
Nikkaji: J79.720K

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 195 · 195-196 °C(lit.)
끓는 점: 295.6 · 295.6±40.0 °C(Predicted)
밀도: 2.0444 · 2.0444 (rough estimate)
굴절률: 1.64 · 1.6400 (estimate)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 7.17 · 7.17±0.23(Predicted)
BRN: 2803732 · 2803732
InChI: InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey: HFYPXERYZGFDBD-UHFFFAOYSA-N
SMILES: C1(O)=C(Br)C=C(N)C=C1Br
EPA: 4 · Phenol, 4-amino-2,6-dibromo- (609-21-2)

화학적 성질

beige to pale brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.