3-Chloro-2-fluoroaniline

HCID 75014CAS 2106-04-9

기본 정보

표준 SMILES: Nc1cccc(Cl)c1F
InChIKey: XWBTZHDDWRNOQH-UHFFFAOYSA-N
분자식: C6H5ClFN
평균 분자량: 145.56 g/mol
단동위원소 질량: 145.00945506

이름 및 식별자

우선 이름: 3-Chloro-2-fluoroaniline
IUPAC: 3-chloro-2-fluoroaniline
영어명: 3-Chloro-2-fluoroaniline
분자식: C6H5ClFN
분자량: 145.56

이름 및 동의어

3-Chloro-2-fluoroaniline2106-04-9Benzenamine, 3-chloro-2-fluoro-3-Chloro-2-fluorobenzenamineAniline, 3-chloro-2-fluoro-DTXSID0062183EINECS 218-283-6RefChem:499758DTXCID5036420218-283-62-fluoro-3-chloroaniline3-chloro-2-fluoro-aniline

이름 더 보기

BUTTPARK 29\01-51TIMTEC-BB SBB004108Gefitinib Impurity 833-Chloro-2-fluoraniline3-Chloro-2-fluoroaniline97%3-Chloro-2-fluoroaniline,98%3-Chloro-2-fluoroaniline 97%3-chloro-2-fluoro-benzenamin

MFCD000694153-chloro-2-fluorophenylamine3,4-chlorofluoroaniline3-chloro-2 fluoroaniline2-fluoro-3-chloro-aniline3-chloro-2-fluoro anilineB8HNF595PASCHEMBL112253

데이터베이스 식별자

CAS: 2106-04-9
PubChem CID: 75014
DTXSID: DTXSID0062183
UNII: B8HNF595PA
EC Number: 218-283-6
Nikkaji: J298.695G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

끓는 점: 214 °C · 214 °C (lit.)
밀도: 1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.564(lit.)
인화점: 230 °F · 230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 2.15 · 2.15±0.10(Predicted)
Specific Gravity: 1.34 · 1.34
색상: 무색~갈색
InChI: InChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey: XWBTZHDDWRNOQH-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(Cl)=C1F
EPA: 3 · 3-Chloro-2-fluoroaniline (2106-04-9)

화학적 성질

clear light beige liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (96.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29214200
risk_code: 36/37/38-20/21/22-41-37/38-22-23/24/25
hazard_code: Xi,T,Xn
safety_code: 26-36-36/37/39-39-45
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 3-chloro-2-fluoro-: INACTIVE

응용 분야

용도3-Chloro-2-fluoroaniline may be used in the preparation of 2-chloro-3-fluorobromobenzene and 4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate.

일반 설명3-Chloro-2-fluoroaniline is a dihalo-substituted aniline. Its enthalpy of vaporization at boiling point (487.15K) is 42.561kjoule/mol.