CAS 172648-55-4 N2-Methyl-5-(trifluoromethyl)pyridine-2,3-diamine (HCID 2735930)

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Grundinformationen

CAS: 172648-55-4
Standard-SMILES: CNc1ncc(C(F)(F)F)cc1N
InChIKey: RLRUNZFXEAZVIT-UHFFFAOYSA-N
Summenformel: C7H8F3N3
Durchschnittliche Molmasse: 191,15 g/mol
Monoisotopische Masse: 191,06703192

Namen und Bezeichner

Bevorzugter Name: N2-Methyl-5-(trifluoromethyl)pyridine-2,3-diamine
IUPAC: 2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine
Englischer Name: 3-AMINO-2-(METHYLAMINO)-5-(TRIFLUOROMETHYL)PYRIDINE
Summenformel: C7H8F3N3
Molmasse: 191.15

Namen und Synonyme

N2-methyl-5-(trifluoromethyl)pyridine-2,3-diamineRefChem:831537695-966-9172648-55-43-Amino-2-(methylamino)-5-(trifluoromethyl)pyridine3-Amino-2-methylamino-5-(trifluoromethyl)pyridine2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamineMFCD00068119N2-Methyl-5-(trifluoromethyl)-2,3-pyridinediamineN2-methyl-5-trifluoromethylpyridin-2,3-diaminA1-02439M3215

Weitere Namen anzeigen

BUTTPARK 145\15-11N2-Methyl-5-(trifluoromethyl)5-(trifluoroMethyl)-N2-Methylpyridine-22,3-Pyridinediamine, N2-methyl-5-(trifluoromethyl)-3-Amino-2-(methylamino)-5-(trifluoromethyl)pyridine97%

5-(TRIFLUOROMETHYL)-N2-METHYLPYRIDINE-2,3-DIAMINE2,3-Pyridinediamine,N2-methyl-5-(trifluoromethyl)-SCHEMBL115114DTXSID40371029RLRUNZFXEAZVIT-UHFFFAOYSA-NAMY18420N2-Methyl-5-trifluoromethyl-pyridine-2,3-diamineGEO-02846

Datenbank-Bezeichner

CAS: 172648-55-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 50,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 99 · 99-101°C
Siedepunkt: 285.5 ° · 285.5°
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C7H8F3N3/c1-12-6-5(11)2-4(3-13-6)7(8,9)10/h2-3H,11H2,1H3,(H,12,13)
InChIKey: RLRUNZFXEAZVIT-UHFFFAOYSA-N
SMILES: C1(NC)=NC=C(C(F)(F)F)C=C1N
CAS Datenbank: 172648 · 172648-55-4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.