Basic information
- CAS
2571-05-3- Standard SMILES
CCCCC(CC)CC#N- InChIKey
SNZMXYKDANOXRV-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- 3-Ethylheptanenitrile
- IUPAC
- 3-ethylheptanenitrile
- English name
- 3-ethylheptanenitrile
- Molecular formula
- C9H17N
- Molecular weight
- 139.23798
Names & synonyms
3-ethylheptanenitrileRefChem:501449654-454-5Heptanenitrile, 3-ethyl-,2571-05-3NSC927733-n-heptyl-acetonitrileHeptanenitrile, 3-ethyl-SCHEMBL6250382SCHEMBL8763250NSC 92773NSC-92773
Show more names
AKOS010938502DS-011162
Database identifiers
- CAS
2571-05-3- PubChem CID
- 137648
- EC Number
- 654-454-5
- Nikkaji
- J3.745.177K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
3 records
Compound notes
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