[3-(Trifluormethyl)phenyl]hydrazin

(3-(Trifluoromethyl)phenyl)hydrazine

HCID 98650

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Grundinformationen

CAS: 368-78-5
Standard-SMILES: NNc1cccc(C(F)(F)F)c1
InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N
Summenformel: C7H7F3N2
Durchschnittliche Molmasse: 176,14 g/mol
Monoisotopische Masse: 176,05613288

Namen und Bezeichner

Bevorzugter Name: (3-(Trifluoromethyl)phenyl)hydrazine
IUPAC: [3-(trifluoromethyl)phenyl]hydrazine
Lokaler Name: [3-(Trifluormethyl)phenyl]hydrazin
Englischer Name: 3-(Trifluoromethyl)phenylhydrazine
Summenformel: C7H7F3N2
Molmasse: 176.14

Namen und Synonyme

368-78-5[3-(trifluoromethyl)phenyl]hydrazine(3-(Trifluoromethyl)phenyl)hydrazineDTXSID60190274EINECS 206-713-5NSC 157345RefChem:399780DTXCID70112765206-713-53-(Trifluoromethyl)phenylhydrazineHydrazine, [3-(trifluoromethyl)phenyl]-MFCD00025093

Weitere Namen anzeigen

SKL725NSC269918T0507-8296AKOS B0288183-(Trifluoromeà,à,à-trifluoro-m-tolylhydrazineM-TRIFLUOROMETHYLPHENYL HYDRAZINE3-(Trifluoromethyl)phenylhydrazine97%

3-trifluoromethylphenylhydrazineEnamine_0012614ZGA5B6Z3H3-trifluoromethyl-phenylhydrazine3-(trifluoromethyl)-phenylhydrazineA823421NSC-1573451-[3-(Trifluoromethyl)phenyl]hydrazine

Datenbank-Bezeichner

CAS: 368-78-5
PubChem CID: 98650
DTXSID: DTXSID60190274
UNII: 4ZGA5B6Z3H
EC Number: 206-713-5
Nikkaji: J213.555H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 146

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 80 · 80-83 °C9 mm Hg(lit.)
Dichte: 1.348 g/mL · 1.348 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.504(lit.)
Flammpunkt: 225 °F · 225 °F
storage temp.: Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 4 · 4+-.0.10(Predicted)
Farbe: Clear yellow to orange to brown
Wasserlöslichkeit: Not miscible or difficult to mix with water.
BRN: 640075 · 640075
InChI: 1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N
SMILES: NNc1cccc(c1)C(F)(F)F
CAS Datenbank: 368 · 368-78-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.9%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29280090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39-36/37/39-36
hazard_class: IRRITANT, IRRITANT-HARMFUL
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3