Basic information
- CAS
3325-77-7- Standard SMILES
CCOC(=O)C1(C)CC1C#N- InChIKey
KJONXUIDBVZZLB-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- Ethyl 2-cyano-1-methylcyclopropane-1-carboxylate
- IUPAC
- ethyl 2-cyano-1-methylcyclopropane-1-carboxylate
Names & synonyms
3325-77-7Ethyl 2-cyano-1-methylcyclopropane-1-carboxylateRefChem:594305892-518-6ethyl 2-cyano-1-methylcyclopropanecarboxylateethyl2-cyano-1-methylcyclopropane-1-carboxylateMFCD24499825SY466942G47074EN300-6512904cyclopropanecarboxylic acid, 2-cyano-1-methyl-, ethyl ester, trans-
Database identifiers
- CAS
3325-77-7- PubChem CID
- 10057713
- EC Number
- 892-518-6
- Nikkaji
- J478.686F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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