2-Chloro-4-trifluoromethylaniline (HCID 162001)

개요

2-Chloro-4-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.

이름 및 식별자

우선 이름: 2-Chloro-4-trifluoromethylaniline
IUPAC: 2-chloro-4-(trifluoromethyl)aniline
영어명: 4-Amino-3-chlorobenzotrifluoride
분자식: C7H5ClF3N
분자량: 195.57

이름 및 동의어

39885-50-22-Chloro-4-trifluoromethylanilineD67KX3WQ3ZDTXSID30192922Cl-TFMARefChem:86274DTXCID70115413254-674-82-Chloro-4-(trifluoromethyl)aniline4-Amino-3-chlorobenzotrifluorideBENZENAMINE, 2-CHLORO-4-(TRIFLUOROMETHYL)-MFCD00042563

이름 더 보기

BUTTPARK 29\06-52TIMTEC-BB SBB0035943-Amino-4-Chlorotrifluorotolue4-AMINO-5-CHLORO-BENZOTRIFLUORIDE4-Amino-3-chlorobenzotrifluoride97%4-Amino-3-chlorobenzotrifluoride 97%4-Amino-3-chlorobenzotrifluoride >

2-chloro-4-(trifluoromethyl)benzenamine2-chloro-4-(trifluoromethyl)phenylaminehaloaniline3-chloro-4-aminobenzotrifluorideEINECS 254-674-8tau-fluvalinate TP22-Chloro-4-trifluoromethyl-phenylamineUNII-D67KX3WQ3Z

데이터베이스 식별자

CAS: 39885-50-2
PubChem CID: 162001
DTXSID: DTXSID30192922
ChEBI: CHEBI:194659
UNII: D67KX3WQ3Z
EC Number: 254-674-8
Nikkaji: J153.392D

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 214 · 214-218 °C(lit.)
밀도: 1.416 g/mL · 1.4160 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5030(lit.)
인화점: 218 °F · 218 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 0.82 · 0.82±0.10(Predicted)
색상: 무색~연황색
BRN: 4179703 · 4179703
InChI: InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChIKey: MBBUTABXEITVNY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C(F)(F)F)C=C1Cl

화학적 성질

clear light yellow to yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (85.4%)

안전 데이터

wgk: 3
ridadr: UN2810
HS 번호: 29039990
risk_code: 36/37/38-20/21/22-50-24-20/22
hazard_code: Xi,Xn,N,T
safety_code: 26-36-36/37/39-23-61-45
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4-Amino-3-chlorobenzotrifluoride serves as a starting material for the synthesis of 5-chloro-N-(2-chloro-4-(trifluoromethyl)phenyl)-2-hydroxybenzamide [3].