α,α,α,α',α',α'-Hexafluor-3,5-xylidin

Benzenamine, 3,5-bis(trifluoromethyl)-

HCID 9480CAS 328-74-5

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Grundinformationen

Standard-SMILES: Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
Summenformel: C8H5F6N
Durchschnittliche Molmasse: 229,12 g/mol
Monoisotopische Masse: 229,03261848

Namen und Bezeichner

Bevorzugter Name: Benzenamine, 3,5-bis(trifluoromethyl)-
IUPAC: 3,5-bis(trifluoromethyl)aniline
Lokaler Name: α,α,α,α',α',α'-Hexafluor-3,5-xylidin
Englischer Name: 3,5-Bis(trifluoromethyl)aniline
Summenformel: C8H5F6N
Molmasse: 229.12

Namen und Synonyme

3,5-BIS(TRIFLUOROMETHYL)ANILINE328-74-5Benzenamine, 3,5-bis(trifluoromethyl)-3,5-Bis(trifluoromethyl)benzenamine3,5-Bis-trifluoromethyl-phenylamineBRN 0654318AI3-17666EINECS 206-335-0DTXSID10598143,5-Xylidine, alpha,alpha,alpha,alpha,alpha,alpha-hexafluro-3-12-00-02498 (Beilstein Handbook Reference)RefChem:117213

Weitere Namen anzeigen

MBT-NH23,5-Bis(TrifluoroAKOS BBS-00003710TIMTEC-BB SBB0006903,5-Di(trifluorometh3,5-difluoromethylaniline3,5-Bis(trifluormethyl)aniline3,5-BIS(TRIFLUOROMETHYL)AMILINE3,5-bis(trifluoromethyl)-anilin

DTXCID2038576CDIDGWDGQGVCIB-UHFFFAOYSA-N3,5-Di(trifluoromethyl)anilineMFCD00000394Aniline, 3,5-bis(trifluoromethyl)-alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidineNSC 3411NSC3411

Datenbank-Bezeichner

CAS: 328-74-5
PubChem CID: 9480
DTXSID: DTXSID1059814
UNII: LLV6H6898J
EC Number: 206-335-0
Nikkaji: J5.676F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 198

Experimentelle und physikochemische Eigenschaften

LogP3.57

Physikochemische Eigenschaften

Schmelzpunkt: 168.2 · 168.2-169.2 °C
Siedepunkt: 85 °C15 · 85 °C15 mm Hg(lit.)
Dichte: 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.434(lit.)
Flammpunkt: 182 °F · 182 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 2.15 · 2.15±0.10(Predicted)
Wichte: 1.473 · 1.473
Farbe: Clear light yellow to yellow-brown
Wasserlöslichkeit: Not miscible in water.
BRN: 654318 · 654318
InChI: 1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
SMILES: Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CAS Datenbank: 328 · 328-74-5(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzenamine, 3,5-bis(trifluoromethyl)-(328-74-5)
EPA chemische Informationen: 3 · Benzenamine, 3,5-bis(trifluoromethyl)- (328-74-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (15.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.