6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine

HCID 245271

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Basic information

CAS: 1480-66-6
Standard SMILES: Nc1cc(Cl)nc(C(F)(F)F)n1
InChIKey: UQLPLJKPRIYXRJ-UHFFFAOYSA-N
Molecular formula: C5H3ClF3N3
Average molar mass: 197.54 g/mol
Monoisotopic mass: 196.99675944

Names & identifiers

Preferred name: 6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
IUPAC: 6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
English name: 6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
Molecular formula: C5H3ClF3N3
Molecular weight: 197.55

Names & synonyms

6-chloro-2-(trifluoromethyl)pyrimidin-4-amineDTXSID90288638RefChem:541507DTXCID30239785853-882-11480-66-66-Chloro-2-trifluoromethylpyrimidin-4-ylamine6-Chloro-2-trifluoromethyl-pyrimidin-4-ylamineMFCD08436599NSC57016NSC 57016SCHEMBL114468

Show more names

6-Chloro-2-(trifluoromethyl)6-Chloro-2-(trifluoromethyl)-4-pyrimidinamine4-Pyrimidinamine, 6-chloro-2-(trifluoromethyl)-6-CHLORO-2-TRIFLUOROMETHYLPYRIMIDIN-4-YLAMINE, 95+%

NSC-57016SB16461EN300-2381814-Amino-6-chloro-2-(trifluoromethyl)pyrimidineFT-0743658SBB092200AKOS000320536AS-40477

Database identifiers

CAS: 1480-66-6
PubChem CID: 245271
DTXSID: DTXSID90288638
EC Number: 853-882-1

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 202.6 · 202.6±40.0 °C(Predicted)
Density: 1.598 · 1.598±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.15 · -1.15±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.