4-아미노벤조트리플로라이드

4-(Trifluoromethyl)aniline

HCID 9964CAS 455-14-1
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기본 정보

표준 SMILES
Nc1ccc(C(F)(F)F)cc1
InChIKey
ODGIMMLDVSWADK-UHFFFAOYSA-N
분자식
C7H6F3N
평균 분자량
161.12 g/mol
단동위원소 질량
161.04523385

개요

4-trifluoromethylaniline is a substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. It has a role as a metabolite. It is a substituted aniline and a member of (trifluoromethyl)benzenes.

이름 및 식별자

우선 이름
4-(Trifluoromethyl)aniline
IUPAC
4-(trifluoromethyl)aniline
현지명
4-아미노벤조트리플로라이드
영어명
4-Aminobenzotrifluoride
분자식
C7H6F3N
분자량
161.12

이름 및 동의어

4-(Trifluoromethyl)aniline455-14-14-Aminobenzotrifluoride4-Trifluoromethylanilinep-AminobenzotrifluorideBenzenamine, 4-(trifluoromethyl)-p-(Trifluoromethyl)anilinealpha,alpha,alpha-Trifluoro-p-toluidineRQJ623MB8Gpara-trifluoromethylanilineNSC-10337DTXSID5060013
이름 더 보기
4-아미노벤조트리플로라이드4-아미노벤조트라이플루오라이드aminobenzotrifluorideTRIFLUOROMETHYLANILINE-trifluoromethylaniline4-(Trifluoromethyl)aniline HydroiodideTIMTEC-BB SBB0039564-aminobenzotrifluride
CHEBI:40750RefChem:527080DTXCID9040421207-236-5alpha,alpha,alpha-Trifluoro-p-anisidinep-Trifluoromethylaniline4-(Trifluoromethyl)benzenamineMFCD00064396

데이터베이스 식별자

CAS
455-14-1
PubChem CID
9964
DTXSID
DTXSID5060013
ChEMBL
CHEMBL1162294
ChEBI
CHEBI:40750
UNII
RQJ623MB8G
EC Number
207-236-5
Nikkaji
J59.714G

물성

구조 계산 물성

XLogP
2.4
극성 표면적
26 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점
3 · 3-8 °C
끓는 점
83 °C12 · 83 °C12 mm Hg(lit.)
밀도
1.283 g/mL · 1.283 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.483(lit.)
인화점
188 °F · 188 °F
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.

Danger

H301 (66.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12129

4-Aminobenzotrifluoride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (66.1%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XU9260000
ridadr
UN 2810 6.1/PG 3
HS 번호
29214300
risk_code
25-36-50/53-36/37/38-33-20/21/22

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-(trifluoromethyl)-: ACTIVE

응용 분야

용도4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis.

일반 설명Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.

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