α,α,α-Trifluor-p-toluidin

4-(Trifluoromethyl)aniline

HCID 9964CAS 455-14-1
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Grundinformationen

Standard-SMILES
Nc1ccc(C(F)(F)F)cc1
InChIKey
ODGIMMLDVSWADK-UHFFFAOYSA-N
Summenformel
C7H6F3N
Durchschnittliche Molmasse
161,12 g/mol
Monoisotopische Masse
161,04523385

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
4-(Trifluoromethyl)aniline
IUPAC
4-(trifluoromethyl)aniline
Lokaler Name
α,α,α-Trifluor-p-toluidin
Englischer Name
4-Aminobenzotrifluoride
Summenformel
C7H6F3N
Molmasse
161.12

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
3 · 3-8 °C
Siedepunkt
83 °C12 · 83 °C12 mm Hg(lit.)
Dichte
1.283 g/mL · 1.283 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.483(lit.)
Flammpunkt
188 °F · 188 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 3
hs_code
29214300
RTECS-Nr.
XU9260000
risk_code
25-36-50/53-36/37/38-33-20/21/22

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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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