Basic information
- CAS
1935147-91-3- Standard SMILES
Cn1ncc(CC#N)c1Cl- InChIKey
XDUXOTBDWPEMOB-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3
- Average molar mass
- 155.58 g/mol
- Monoisotopic mass
- 155.0250249
Names & identifiers
- Preferred name
- 2-(5-chloro-1-methyl-1H-pyrazol-4-yl)acetonitrile
- IUPAC
- 2-(5-chloro-1-methylpyrazol-4-yl)acetonitrile
- English name
- 1H-Pyrazole-4-acetonitrile, 5-chloro-1-methyl-
- Molecular formula
- C6H6ClN3
- Molecular weight
- 155.58
Names & synonyms
2-(5-chloro-1-methyl-1H-pyrazol-4-yl)acetonitrile1935147-91-3MFCD285512332-(5-chloro-1-methylpyrazol-4-yl)acetonitrile5-Chloro-1-methyl-1H-pyraZole-4-acetonitrileG650392-(5-chloro-1-methyl-pyrazol-4-yl)acetonitrileEN300-34767131H-Pyrazole-4-acetonitrile, 5-chloro-1-methyl-
Database identifiers
- CAS
1935147-91-3- PubChem CID
- 84763680
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 287.2 · 287.2±25.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -0.06 · -0.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…