4-(Trifluoromethyl)phenylhydrazine

HCID 136200CAS 368-90-1

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Grundinformationen

Standard-SMILES: NNc1ccc(C(F)(F)F)cc1
InChIKey: DBNLGTYGKCMLLR-UHFFFAOYSA-N
Summenformel: C7H7F3N2
Durchschnittliche Molmasse: 176,14 g/mol
Monoisotopische Masse: 176,05613288

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)phenylhydrazine
IUPAC: [4-(trifluoromethyl)phenyl]hydrazine
Englischer Name: 4-(Trifluoromethyl)phenylhydrazine
Summenformel: C7H7F3N2
Molmasse: 176.14

Namen und Synonyme

4-(Trifluoromethyl)phenylhydrazine368-90-14-trifluoromethylphenylhydrazineDTXSID40190277RefChem:517171DTXCID50112768609-305-9(4-(Trifluoromethyl)phenyl)hydrazine[4-(trifluoromethyl)phenyl]hydrazine4-(trifluoromethyl)phenyl hydrazineMFCD00042508p-Trifluoromethylphenylhydrazine

Weitere Namen anzeigen

BUTTPARK 44\57-164-(Trifluromethyl)phenylhydrà,à,à-trifluoro-p-tolylhydrazineP-(TRIFLUOROMETHYL)PHENYLHYDRAZINE4-(Trifluoromethyl)phenylhydrazine97%4-(Trifluoromethyl)phenylhydrazine,96%1-[4-(trifluoromethyl)phenyl]hydrazine4-(Trifluoromethyl)phenylhydrazine,95%4-(Trifluoromethyl)phenylhydrazine 97%

Hydrazine, [4-(trifluoromethyl)phenyl]-4-trifluoromethyl-phenylhydrazine(4-trifluoromethyl-phenyl)-hydrazineSTK500360GS-3179AC-149144-Hydrazinobenzotrifluoride4-(Trifluoromethyl)-phenylhydrazine

Datenbank-Bezeichner

CAS: 368-90-1
PubChem CID: 136200
DTXSID: DTXSID40190277
EC Number: 609-305-9
Nikkaji: J308.981I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 63 · 63-65 °C (lit.)
Siedepunkt: 118 · 118-122 °C/17 mmHg (lit.)
Dichte: 1.2773 · 1.2773 (estimate)
Flammpunkt: 119 · 119-121°C/17mm
storage temp.: 2 · 2-8°C
pka: 4.49 · 4.49±0.20(Predicted)
Aggregatzustand: Powder
Farbe: Yellow to brown
Wasserlöslichkeit: Insoluble in water.
BRN: 743759 · 743759
InChI: 1S/C7H7F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2
InChIKey: DBNLGTYGKCMLLR-UHFFFAOYSA-N
SMILES: NNc1ccc(cc1)C(F)(F)F
CAS Datenbank: 368 · 368-90-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (14.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29280000
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
hazard_note: Irritant
safety_code: 26-36-24/25
hazard_class: IRRITANT, TOXIC
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-(Trifluoromethyl)phenylhydrazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.