Basic information
- CAS
945262-35-1- Standard SMILES
FC(F)c1nnc2n1CCNC2- InChIKey
OPBRLKOINULLLT-UHFFFAOYSA-N- Molecular formula
- C6H8F2N4
- Average molar mass
- 174.15 g/mol
Names & identifiers
- Preferred name
- 3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
- IUPAC
- 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
- English name
- 3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
- Molecular formula
- C6H8F2N4
- Molecular weight
- 174.15
Names & synonyms
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine945262-35-13-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazineRefChem:494936882-712-93-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazineSCHEMBL10025633TQP0641VMB262353-(Difluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazineAKOS011878881SB15915
Show more names
1,2,4-Triazolo[4,3-a]pyrazine, 3-(difluoromethyl)-5,6,7,8-tetrahydro-
DB-378119CS-0056678EN300-107923P11237Z9929168503-difluoromethyl-5,6,7,8-tetrahydro[1,2,4]triazolo-[4,3-a]pyrazine
Database identifiers
- CAS
945262-35-1- PubChem CID
- 62587166
- EC Number
- 882-712-9
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 322.6 · 322.6±52.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 6.51 · 6.51±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine is a useful building block for the preparation of biologically active small molecules.
Suppliers6 total
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
Related reactions
2 records
Compound notes
Loading…