Basic information
- CAS
42124-66-3- Standard SMILES
CCC(C)C(=O)CC#N- InChIKey
XWIHHAWAPXYFOX-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 4-Methyl-3-oxohexanenitrile
- IUPAC
- 4-methyl-3-oxohexanenitrile
- English name
- 4-methyl-3-oxohexanenitrile
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
4-methyl-3-oxohexanenitrile42124-66-3RefChem:525262865-047-9MFCD11187386SCHEMBL9178499SBA12466AKOS008118361SY268672EN300-64198G25949Z360167402
Show more names
Hexanenitrile, 4-methyl-3-oxo-
Database identifiers
- CAS
42124-66-3- PubChem CID
- 18978024
- EC Number
- 865-047-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H332-H312-H302-H227
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H332-H312-H302-H227
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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