2-Amino-4-(trifluoromethyl)pyridine

HCID 2778315

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Grundinformationen

CAS: 106447-97-6
Standard-SMILES: Nc1cc(C(F)(F)F)ccn1
InChIKey: RWGBXAQMUBGGKQ-UHFFFAOYSA-N
Summenformel: C6H5F3N2
Durchschnittliche Molmasse: 162,11 g/mol
Monoisotopische Masse: 162,04048282

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-(trifluoromethyl)pyridine
IUPAC: 4-(trifluoromethyl)pyridin-2-amine
Englischer Name: 2-Amino-4-(trifluoromethyl)pyridine
Summenformel: C6H5F3N2
Molmasse: 162.11

Namen und Synonyme

2-Amino-4-(trifluoromethyl)pyridine106447-97-6DTXSID70380861RefChem:464232DTXCID00331886634-596-44-(trifluoromethyl)pyridin-2-amineMFCD000774554-Trifluoromethyl-pyridin-2-ylamine4-trifluoromethyl-2-pyridinamineCHEMBL2940444-trifluoromethyl-2-aminopyridine

Weitere Namen anzeigen

2-AMino-4-tirfluoroMethylpyridine-Amino-4-(trifluoromethyl)pyridine2-Amino-4-trifluoromethylpyridine HCl2-Amino-4-(trifluoromethyl)pyridine >2-Amino-4-(trifluoromethyl)pyridine 98%

2-amino-4-trifluormethyl-pyridine4-(trifluoromethyl)-2-pyridylamineBDBM50091804DG-0065CS-105032-Pyridinamine, 4-(trifluoromethyl)-2-amino-4-trifluoromethylpyridine4-(trifluoromethyl)-2-pyridinamine

Datenbank-Bezeichner

CAS: 106447-97-6
PubChem CID: 2778315
DTXSID: DTXSID70380861
ChEMBL: CHEMBL294044
EC Number: 634-596-4
Nikkaji: J1.071.764G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-74 °C
Siedepunkt: 221.3 · 221.3±40.0 °C(Predicted)
Dichte: 1.368 · 1.368±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.55 · 4.55±0.11(Predicted)
Aggregatzustand: Powder, Solid or Crystalline
Farbe: White to pale brown
BRN: 7869677 · 7869677
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)
InChIKey: RWGBXAQMUBGGKQ-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C(F)(F)F)=C1
CAS Datenbank: 106447 · 106447-97-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (50.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (50.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38-43-34-22
hazard_code: T,Xi,C
hazard_note: Toxic
safety_code: 26-36/37-45-36/37/39
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3