methyl 4-nitrobutyrate
Names
[ CAS No. ]:
13013-02-0
[ Name ]:
methyl 4-nitrobutyrate
[Synonym ]:
4-nitrobutanoic acid methyl ester
4-Nitrobutyric Acid Methyl Ester
MFCD00007408
EINECS 235-866-0
Methyl 4-nitrobutyrate
BUTYRIC ACID,4-NITRO-,METHYL ESTER
Butanoic acid,4-nitro-,methyl ester
methyl 4-nitro-1-butanoate
Chemical & Physical Properties
[ Density]:
1.155g/cm3
[ Boiling Point ]:
238.5ºC at 760mmHg
[ Molecular Formula ]:
C5H9NO4
[ Molecular Weight ]:
147.12900
[ Flash Point ]:
107.3ºC
[ Exact Mass ]:
147.05300
[ PSA ]:
72.12000
[ LogP ]:
0.73950
[ Vapour Pressure ]:
0.0422mmHg at 25°C
[ Index of Refraction ]:
n20/D 1.438(lit.)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ET5950970
- CHEMICAL NAME :
- Butyric acid, 4-nitro-, methyl ester
- CAS REGISTRY NUMBER :
- 13013-02-0
- BEILSTEIN REFERENCE NO. :
- 1766154
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C5-H9-N-O4
- MOLECULAR WEIGHT :
- 147.15
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 30,56,1967
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
[ Safety Phrases ]:
23-24/25
[ WGK Germany ]:
3
[ RTECS ]:
ET5950970
[ HS Code ]:
2915900090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915900090
[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
Articles
Org. Lett. 12(13) , 3058-61, (2010)
A catalytic highly enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes using a Cu(II)-amino pyridine complex as catalyst is described. The products resulting from this reaction cons...