4-Bromo-3,5-difluoroaniline

HCID 2736260CAS 203302-95-8

기본 정보

표준 SMILES: Nc1cc(F)c(Br)c(F)c1
InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N
분자식: C6H4BrF2N
평균 분자량: 208 g/mol
단동위원소 질량: 206.94951767

이름 및 식별자

우선 이름: 4-Bromo-3,5-difluoroaniline
IUPAC: 4-bromo-3,5-difluoroaniline
영어명: 4-Bromo-3,5-difluoroaniline
분자식: C6H4BrF2N
분자량: 208

이름 및 동의어

4-Bromo-3,5-difluoroaniline203302-95-8DTXSID50371237RefChem:1070399DTXCID20322271642-716-1benzenamine, 4-bromo-3,5-difluoro-MFCD002365934-bromo-3,5-difluorophenylamine3,5-difluoro-4-bromoanilineEN300-1060674-bromo-3,5-difluorobenzenamine

이름 더 보기

BUTTPARK 35\03-504-bromo-3,5-difluoroanilin4-Bromo-3,5-difluoroaniline >4-Bromo-3,5-difluoroaniline 95%4-bromo-3,5-difluoro-Benzenamine4-Bromo-3,5-difluoroaniline ISO 9001：2015 REACH4-BroMo-3,5-difluoroaniline 95%, 5-difluoroaniline 95%

4-bromo-3,5-difluoro-phenylamineSCHEMBL238421SCHEMBL29221526BDBM625970CK1163SBB093953AKOS005064041AC-1576

데이터베이스 식별자

CAS: 203302-95-8
PubChem CID: 2736260
DTXSID: DTXSID50371237
EC Number: 642-716-1
Nikkaji: J3.151.753B

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 99 · 99-101°C
끓는 점: 223.7 · 223.7±35.0 °C(Predicted)
밀도: 1.788 · 1.788±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1.86 · 1.86±0.10(Predicted)
색상: White to Light gray to Light orange
InChI: InChI=1S/C6H4BrF2N/c7-6-4(8)1-3(10)2-5(6)9/h1-2H,10H2
InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(Br)C(F)=C1

화학적 성질

Pale yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.