Basic information
- CAS
1093207-29-4- Standard SMILES
C#Cc1cccc(N)c1C#N- InChIKey
KVJKPSYLJPOPBS-UHFFFAOYSA-N- Molecular formula
- C9H6N2
- Average molar mass
- 142.16 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-ethynylbenzonitrile
- IUPAC
- 2-amino-6-ethynylbenzonitrile
Names & synonyms
2-Amino-6-ethynylbenzonitrile1093207-29-4SCHEMBL2417697KVJKPSYLJPOPBS-UHFFFAOYSA-NEN300-27081370
Database identifiers
- CAS
1093207-29-4- PubChem CID
- 86657482
- EC Number
- 175-032-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 226
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, 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%)
Related reactions
4 records
Compound notes
Loading…