Basic information
- CAS
5447-99-4- Standard SMILES
CCC(C(C)O)[N+](=O)[O-]- InChIKey
CHOTTWGZEKCPHA-UHFFFAOYSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Overview
3-nitro-2-pentanol is a C-nitro compound.
Names & identifiers
- Preferred name
- 3-Nitro-2-pentanol
- IUPAC
- 3-nitropentan-2-ol
- English name
- 3-Nitro-2-pentanol
- Molecular formula
- C5H11NO3
- Molecular weight
- 133.15
Names & synonyms
3-Nitro-2-pentanol3-Nitropentan-2-ol5447-99-4DTXSID7010316473n2pentRefChem:94999DTXCID20216085226-669-02-Pentanol, 3-nitro-CCRIS 5051EINECS 226-669-0NSC 17683
Show more names
3-Nitro-2-phentanol3-NITRO-2-PENTANOL 99%3-NITRO-2-PENTANOL 97% MIXTURE OF &3-Nitro-2-pentanol,mixture of (?-threo and (?-erythro3-Nitro-2-pentanol, mixture of (±)-threo and (±)-erythro
NSC17683SCHEMBL2918544CHEBI:138493CHOTTWGZEKCPHA-UHFFFAOYSA-NNSC-17683AKOS015916733DB-052586NS00045005
Database identifiers
- CAS
5447-99-4- PubChem CID
- 93005
- DTXSID
DTXSID701031647- ChEBI
CHEBI:138493- EC Number
- 226-669-0
- Nikkaji
- J210.492J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.9
Physicochemical properties
- Boiling point
- 60 °C0.5 · 60 °C0.5 mm Hg(lit.)
- Density
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.443(lit.)
- Flash point
- 195 °F · 195 °F
- pka
- 7.38 · 7.38±0.19(Predicted)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29055998 · 29055998
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29055998
- safety_code
- 24/25
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
江阴瑞生化学有限公司13003356808 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 3-nitro-2-pentanol is a C-nitro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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