Basic information
- CAS
1017388-57-6- Standard SMILES
N#CC(c1cccc(Cl)c1)N1CCNCC1- InChIKey
FLHZJVMVTDWPBV-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3
- Average molar mass
- 235.71 g/mol
- Monoisotopic mass
- 235.0876252
Names & identifiers
- Preferred name
- 2-(3-Chlorophenyl)-2-(piperazin-1-yl)acetonitrile
- IUPAC
- 2-(3-chlorophenyl)-2-piperazin-1-ylacetonitrile
- English name
- 2-(3-chlorophenyl)-2-(piperazin-1-yl)acetonitrile
- Molecular formula
- C12H14ClN3
- Molecular weight
- 235.71266
Names & synonyms
2-(3-CHLOROPHENYL)-2-(PIPERAZIN-1-YL)ACETONITRILE1017388-57-6RefChem:455395848-281-62-(3-chlorophenyl)-2-piperazin-1-ylacetonitrileCHEMBL4562855AKOS000157638AKOS022204000EN300-190746Z285165376
Database identifiers
- CAS
1017388-57-6- PubChem CID
- 20120839
- ChEMBL
CHEMBL4562855- EC Number
- 848-281-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H335-H312-H319-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-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
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, P317, 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
- H332-H302-H335-H312-H319-H315
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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