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13013-02-0

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13013-02-0 Structure

13013-02-0 Structure
IdentificationBack Directory
[Name]

METHYL 4-NITROBUTYRATE
[CAS]

13013-02-0
[Synonyms]

NSC 126459
CBI-BB ZERO/005216
METHYL 4-NITROBUTYRATE
Methyl 4-nitrobutanoate
Methyl 4-nitrobutyrate 97%
4-nitro-butyricacimethylester
4-NITROBUTYRIC ACID METHYL ESTER
Methyl 4-nitrobutyrate,80%,tech.
METHYL 4-NITROBUTYRATE, TECH. 80%
4-Nitrobutanoic acid methyl ester
Butyric acid, 4-nitro-, methyl ester
Butanoic acid,4-nitro-, methyl ester
Methyl 4-nitrobutyrate, tech., 80% 5GR
[EINECS(EC#)]

235-866-0
[Molecular Formula]

C5H9NO4
[MDL Number]

MFCD00007408
[MOL File]

13013-02-0.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW TO AMBER LIQUID
[Boiling point ]

106-110 °C9 mm Hg(lit.)
[density ]

1.149 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.438(lit.)
[Fp ]

185 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

8.27±0.29(Predicted)
[color ]

Colourless
[BRN ]

1766154
[InChI]

1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
[InChIKey]

UBSPKGKFFQKZJB-UHFFFAOYSA-N
[SMILES]

COC(=O)CCC[N+]([O-])=O
[LogP]

0.480 (est)
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW TO AMBER LIQUID
[Uses]

Butyric acid derivative. Displays some anti-inflammatory activity.
[Preparation]

methyl 4-nitrobutyrate is obtained by acid-catalyzed hydrolysis of the ester.
[General Description]

The reaction of methyl 4-nitrobutyrate with aldehydes, following the enantioselective Henry addition, was studied.
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[RTECS ]

ET5950970
[HS Code ]

29159000
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-NITROBUTYRATE(13013-02-0)1HNMR
METHYL 4-NITROBUTYRATE(13013-02-0)IR
METHYL 4-NITROBUTYRATE(13013-02-0)Raman
METHYL 4-NITROBUTYRATE(13013-02-0)FT-IR
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