2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

HCID 53471483

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Basic information

CAS: 741737-16-6
Standard SMILES: FC(F)(F)c1ncc2c(n1)CCNC2
InChIKey: CKMCVIMYBWEVKX-UHFFFAOYSA-N
Molecular formula: C8H8F3N3
Average molar mass: 203.16 g/mol
Monoisotopic mass: 203.06703175

Names & identifiers

Preferred name: 2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
IUPAC: 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
English name: 2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
Molecular formula: C8H8F3N3
Molecular weight: 203.16

Names & synonyms

2-(TRIFLUOROMETHYL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDINE2-(trifluoromethyl)-5H,6H,7H,8H-pyrido(4,3-d)pyrimidineRefChem:462527878-078-8741737-16-62-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-2-(trifluoromethyl)-SCHEMBL3639116DTXSID407036642-trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidineAKOS023401765AB59012

Show more names

2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-

CS-0083445EN300-1718697Z1269244568

Database identifiers

CAS: 741737-16-6
PubChem CID: 53471483
DTXSID: DTXSID40703664
EC Number: 878-078-8

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 37.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 206

Physicochemical properties

Boiling point: 214.7 · 214.7±40.0 °C(Predicted)
Density: 1.334 · 1.334±0.06 g/cm3(Predicted)
pka: 6.56 · 6.56±0.20(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H315-H335-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H315-H335-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362