2-Chloro-3-fluoroaniline

HCID 88884CAS 21397-08-0

기본 정보

표준 SMILES: Nc1cccc(F)c1Cl
InChIKey: FJKIADFDXOCBRV-UHFFFAOYSA-N
분자식: C6H5ClFN
평균 분자량: 145.56 g/mol
단동위원소 질량: 145.00945506

이름 및 식별자

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

이름 및 동의어

2-Chloro-3-fluoroaniline21397-08-02-chloro-3-fluorobenzenamineEINECS 244-366-1DTXSID30175659RefChem:468680DTXCID8098150244-366-12-chloro-3-fluoro aniline2-Chloro-3-fluoro-anilineMFCD03407961Benzenamine, 2-chloro-3-fluoro-

이름 더 보기

BUTTPARK 44\01-952-Chloro-3-fluoroaniline98%2-Chloro-3-fluoroaniline 98%2-chloro-3-fluorobenzeneamine2-Chloro-3-fluoroaniline, 97%2-Chloro-3-fluoroaniline, 95+%(2-chloro-3-fluoro-phenyl)amine2-Chloro-3-fluoroaniline ISO 9001：2015 REACH

SCHEMBL1088842-chloro-3-fluoro-phenylamineFJKIADFDXOCBRV-UHC57TJ6HK3A2-chloro-3-fluorophenylamineAniline, 2-chloro-3-fluoro-SCHEMBL6825826SCHEMBL8880192

데이터베이스 식별자

CAS: 21397-08-0
PubChem CID: 88884
DTXSID: DTXSID30175659
UNII: C57TJ6HK3A
EC Number: 244-366-1
Nikkaji: J226.194D

물성

구조 계산 물성

XLogP: 2.3
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: 210.3 · 210.3±20.0 °C(Predicted)
밀도: 1.349 · 1.349±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 1 · 1+-.0.10(Predicted)
색상: Clear, almost colourless (hint of lime)
InChI: InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey: FJKIADFDXOCBRV-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(F)=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (20%)

안전 데이터

HS 번호: 2921420090
risk_code: 23/24/25
hazard_code: Xi,T
safety_code: 36/37/39-45
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

개요2-Chloro-3-fluoroaniline can be used as an intermediate for organic synthesis. 2-Chloro-3-fluoro nitrobenzene can be produced from 3-fluoro nitrobenzene by chlorination, and then 2-Chloro-3-fluoroaniline is obtained by reduction of nitro, and the reducing agent can be chosen from tin chloride and iron powder.