Basic information
- CAS
629-37-8- Standard SMILES
CCCCCCCC[N+](=O)[O-]- InChIKey
KLGHUFNKRIWCDQ-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Octane, 1-nitro-
- IUPAC
- 1-nitrooctane
- English name
- 1-nitrooctane
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
1-nitrooctane629-37-8Octane, 1-nitro-DTXSID50212075NSC 3659RefChem:855938DTXCID50134566659-737-71-Nitro octane1-Nitro-octaneNSC3659MFCD00154215
Show more names
SCHEMBL1117354SCHEMBL1227560NSC-3659AKOS006271597SY266562DB-312265Q27463705N8C
Database identifiers
- CAS
629-37-8- PubChem CID
- 136451
- DTXSID
DTXSID50212075- EC Number
- 659-737-7
- Nikkaji
- J95.067J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 98.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 15 °C · 15°C
- Boiling point
- 208.55 °C · 208.55°C
- Density
- 0.9346 · 0.9346
- refractive index
- 1.4322 · 1.4322
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers4 total
江苏贵仁医药有限公司+86-13815020719 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
杭州里德伯生物科技有限公司13616542515 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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