Basic information
- CAS
625-74-1- Standard SMILES
CC(C)C[N+](=O)[O-]- InChIKey
XFXRMDNWSGXSNJ-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Names & identifiers
- Preferred name
- 2-Methyl-1-nitropropane
- IUPAC
- 2-methyl-1-nitropropane
- English name
- 2-methyl-1-nitropropane
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
2-Methyl-1-nitropropanePropane, 2-methyl-1-nitro-1-Nitroisobutane1-Nitro-2-methylpropane2-Methyl-3-nitropropane(CH3)2CHCH2NO2DTXSID90211547NSC 3660Propane, 2methyl1nitroRefChem:88002DTXCID20134038830-037-5
Show more names
InChI=1/C4H9NO2/c1-4(2)3-5(6)7/h4H,3H2,1-2HXFXRMDNWSGXSNJ-UHFFFAOYSA-N625-74-12-methyl-1-nitro-propaneMFCD00094894NitroisobutanNSC3660SCHEMBL1170344
Database identifiers
- CAS
625-74-1- PubChem CID
- 69367
- DTXSID
DTXSID90211547- EC Number
- 830-037-5
- Nikkaji
- J96.225B
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 64.6
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesBoiling point
Vapor Pressure6.88 [mmHg]
Physicochemical properties
- Melting point
- -76.85 °C · -76.85°C
- Boiling point
- 141.72 °C · 141.72°C
- Density
- 0.9585 · 0.9585
- refractive index
- 1.4044 · 1.4044
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 8.79 · 8.79±0.50(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 226 · H226-H332-H350-H302
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P318, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummarySee 1-Nitropropane.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS02
- Hazard statements
- H226-H332-H350-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Methyl-1-nitropropane is a solvent used in chemical research, example in the discovery of volatile compounds released by bacterial strains.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
23 records
Compound notes
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