2-Propanone, 1-nitro-

HCID 66296
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Basic information

CAS
10230-68-9
Standard SMILES
CC(=O)C[N+](=O)[O-]
InChIKey
QCDJOJKIHZQJGX-UHFFFAOYSA-N
Molecular formula
C3H5NO3
Average molar mass
103.08 g/mol
Monoisotopic mass
103.02694302

Names & identifiers

Preferred name
2-Propanone, 1-nitro-
IUPAC
1-nitropropan-2-one
English name
Nitroacetone
Molecular formula
C3H5NO3
Molecular weight
103.08

Names & synonyms

10230-68-92-Propanone, 1-nitro-NitroacetoneNitropropanoneDTXSID90144886RefChem:266065DTXCID2067377QCDJOJKIHZQJGX-UHFFFAOYSA-N1-nitropropan-2-one1-Nitro-2-propanoneMFCD074380031-Nitroacetone
Show more names
sodium (1Z)-1-nitroprop-1-en-2-olate1-NITROACETONE DICYCLOHEXYLAMINE SALT1-?Nitropropan-?2-?one DISCONTINUED, UNSTABLE
nitro-2-propanone1-Nitroacetone #propanone, 1-nitro-SCHEMBL2441916SCHEMBL7436942AKOS006239749SY285532CS-0440099

Database identifiers

CAS
10230-68-9
PubChem CID
66296
DTXSID
DTXSID90144886
Nikkaji
J462.366E

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
7

Physicochemical properties

Melting point
50.3 °C · 50.3°C
Boiling point
193.26 °C · 193.26°C (rough estimate)
Density
1.4873 · 1.4873 (rough estimate)
refractive index
1.494 · 1.4940 (estimate)
pka
5.4 · 5.40±0.29(Predicted)

Chemistry & industry

Applications

Uses1-Nitropropan-2-on is a reactant used in the synthesis of deoxyaminosugars.

Upstream & downstream products

Suppliers9 total

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
上海相辉医药科技有限公司[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

Related reactions

40 records
New reaction record

Compound notes

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