Basic information
- CAS
218921-35-8- Standard SMILES
N#CCn1cnccc1=O- InChIKey
KSBJZNSAJHJXSR-UHFFFAOYSA-N- Molecular formula
- C6H5N3O
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.04326179
Names & identifiers
- Preferred name
- 2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
- IUPAC
- 2-(6-oxopyrimidin-1-yl)acetonitrile
- English name
- 1(6H)-Pyrimidineacetonitrile,6-oxo-(9CI)
- Molecular formula
- C6H5N3O
- Molecular weight
- 135.1234
Names & synonyms
218921-35-82-(6-oxo-1,6-dihydropyrimidin-1-yl)acetonitrileRefChem:459278879-045-02-(6-Oxopyrimidin-1(6H)-yl)acetonitrile1(6H)-Pyrimidineacetonitrile,6-oxo-(9CI)AKOS013080657EN300-3432195
Database identifiers
- CAS
218921-35-8- PubChem CID
- 45087635
- EC Number
- 879-045-0
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H312-H335-H332-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H302-H312-H335-H332-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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