4-Chlor-α,α,α-trifluor-m-toluidin

4-Chloro-3-(trifluoromethyl)aniline

HCID 67574CAS 320-51-4

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Grundinformationen

Standard-SMILES: Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N
Summenformel: C7H5ClF3N
Durchschnittliche Molmasse: 195,57 g/mol
Monoisotopische Masse: 195,0062615

Überblick

5-amino-2-chlorobenzotrifluoride is a monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline. It has a role as an epitope. It is a chloroaniline, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes.

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-3-(trifluoromethyl)aniline
IUPAC: 4-chloro-3-(trifluoromethyl)aniline
Lokaler Name: 4-Chlor-α,α,α-trifluor-m-toluidin
Englischer Name: 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine
Summenformel: C7H5ClF3N
Molmasse: 195.57

Namen und Synonyme

4-Chloro-3-(trifluoromethyl)aniline5-Amino-2-chlorobenzotrifluoride2-Chloro-5-aminobenzotrifluorideBenzenamine, 4-chloro-3-(trifluoromethyl)-4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine6-Chloro-3-aminobenzotrifluorideCCRIS 2815EINECS 206-277-6NSC 61405UNII-000N5814MRCHEBI:59245ASPDJZINBYYZRU-UHFFFAOYSA-

Weitere Namen anzeigen

5-AMINO-2-CHLOROTRIFLUOROTOLUENE4-CHLORO-3-TRIFLUOROMETHYL-PHENYLAMINE4-Chloro-3-(trifluoromethyl)-benzenamineAI-ZA04oro-3-(trifLTIMTEC-BB SBB003592Regofenib impurity 5

NSC-61405000N5814MRDTXSID7059804(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)AMINE4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLUIDINERefChem:98416DTXCID7038442ASPDJZINBYYZRU-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 320-51-4
PubChem CID: 67574
DTXSID: DTXSID7059804
ChEBI: CHEBI:59245
UNII: 000N5814MR
EC Number: 206-277-6
Nikkaji: J149.965C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 159

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-37 °C(lit.)
Siedepunkt: 85 °C · 85 °C (3 mmHg)
Dichte: 1.407 · 1.4070 (estimate)
Dampfdruck: 13 Pa · 13Pa at 25℃
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder or Low Melting Solid
pka: 2.74 · 2.74±0.10(Predicted)
Farbe: White to pinkish or slightly orange
BRN: 641588 · 641588
InChI: 1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N
SMILES: Nc1ccc(Cl)c(c1)C(F)(F)F
LogP: 2.68 at · 2.68 at 25℃
CAS Datenbank: 320 · 320-51-4(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-chloro-3-(trifluoromethyl)-(320-51-4)
EPA chemische Informationen: 4 · Benzenamine, 4-chloro-3-(trifluoromethyl)- (320-51-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (78%): Harmful if swallowed [Warning Acute toxicity, oral]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.