Basic information
- CAS
2425-66-3- Standard SMILES
CC(CCl)[N+](=O)[O-]- InChIKey
FPJNQQRSBJPGHM-UHFFFAOYSA-N- Molecular formula
- C3H6ClNO2
- Average molar mass
- 123.54 g/mol
- Monoisotopic mass
- 123.0087061
Names & identifiers
- Preferred name
- 1-Chloro-2-nitropropane
- IUPAC
- 1-chloro-2-nitropropane
- English name
- 1-Chloro-2-nitropropane
- Molecular formula
- C3H6ClNO2
- Molecular weight
- 123.54
Names & synonyms
1-Chloro-2-nitropropaneChloronitropropanLastanPropane, 1-chloro-2-nitro-Niagara 5,9612425-66-3NIA 5961NSC 17667K2GZ49H7NPNSC-17667Caswell No. 201AChloronitropropan [Polish]
Show more names
NIA-5691Niagara-5961
UNII-K2GZ49H7NPEPA Pesticide Chemical Code 011302BRN 1748590WLN: WNY1&1G4-01-00-00233 (Beilstein Handbook Reference)SCHEMBL410520DTXSID6041264NSC17667
Database identifiers
- CAS
2425-66-3- PubChem CID
- 17044
- DTXSID
DTXSID6041264- UNII
- K2GZ49H7NP
- Nikkaji
- J7.889A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 69.8
Physicochemical properties
- Boiling point
- 172.5 °C · 172.5°C (estimate)
- Density
- 1.245 · 1.2450
- refractive index
- 1.4432 · 1.4432 (estimate)
- pka
- 6.59 · 6.59±0.13(Predicted)
- FDA UNII
- 2 GZ49H7NP · K2GZ49H7NP
- EPA Substance Registry System
- 1 · 1-Chloro-2-nitropropane (2425-66-3)
Chemistry & industry
Applications
UsesChlorinated nitroparaffins are of particular interest in the manufacture of highly accelerated rubber cements and insecticides and in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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