Basic information
- CAS
4447-54-5- Standard SMILES
CCCCC(C(=O)OCC)[N+](=O)[O-]- InChIKey
BOMJMFPCSAPKAO-UHFFFAOYSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- Ethyl 2-nitrohexanoate
- IUPAC
- ethyl 2-nitrohexanoate
- English name
- ethyl 2-nitrohexanoate
- Molecular formula
- C8H15NO4
- Molecular weight
- 189.21
Names & synonyms
ethyl 2-nitrohexanoate4447-54-5DTXSID50277705RefChem:342920DTXCID00228863659-761-8NSC3649NSC-3649AKOS024340646Hexanoic acid, 2-nitro-, ethyl ester
Database identifiers
- CAS
4447-54-5- PubChem CID
- 220641
- DTXSID
DTXSID50277705- EC Number
- 659-761-8
- Nikkaji
- J3.572.228I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
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
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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