2-Chlor-4-trifluormethylanilin

2-Chloro-4-trifluoromethylaniline

HCID 162001CAS 39885-50-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc(C(F)(F)F)cc1Cl
InChIKey: MBBUTABXEITVNY-UHFFFAOYSA-N
Summenformel: C7H5ClF3N
Durchschnittliche Molmasse: 195,57 g/mol
Monoisotopische Masse: 195,0062615

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-trifluoromethylaniline
IUPAC: 2-chloro-4-(trifluoromethyl)aniline
Lokaler Name: 2-Chlor-4-trifluormethylanilin
Englischer Name: 4-Amino-3-chlorobenzotrifluoride
Summenformel: C7H5ClF3N
Molmasse: 195.57

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Siedepunkt: 214 · 214-218 °C(lit.)
Dichte: 1.416 g/mL · 1.4160 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.5030(lit.)
Flammpunkt: 218 °F · 218 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 0.82 · 0.82±0.10(Predicted)
Farbe: Colorless to Light yellow
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
CAS Datenbank: 39885 · 39885-50-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (85.4%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden4-Amino-3-chlorobenzotrifluoride serves as a starting material for the synthesis of 5-chloro-N-(2-chloro-4-(trifluoromethyl)phenyl)-2-hydroxybenzamide [3].