Introduction：Basic information about CAS 13013-02-0|methyl 4-nitrobutyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methyl 4-nitrobutyrate |
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| CAS Number | 13013-02-0 | Molecular Weight | 147.12900 |
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| Density | 1.155g/cm3 | Boiling Point | 238.5ºC at 760mmHg |
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| Molecular Formula | C5H9NO4 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 107.3ºC |
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Names
| Name | methyl 4-nitrobutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.155g/cm3 |
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| Boiling Point | 238.5ºC at 760mmHg |
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| Molecular Formula | C5H9NO4 |
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| Molecular Weight | 147.12900 |
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| Flash Point | 107.3ºC |
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| Exact Mass | 147.05300 |
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| PSA | 72.12000 |
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| LogP | 0.73950 |
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| Vapour Pressure | 0.0422mmHg at 25°C |
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| Index of Refraction | n20/D 1.438(lit.) |
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| InChIKey | UBSPKGKFFQKZJB-UHFFFAOYSA-N |
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| SMILES | COC(=O)CCC[N+](=O)[O-] |
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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 DATAACUTE 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
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
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| Safety Phrases | 23-24/25 |
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| WGK Germany | 3 |
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| RTECS | ET5950970 |
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| HS Code | 2915900090 |
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Customs
| HS Code | 2915900090 |
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| 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% |
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Articles1
More Articles
| Enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes. Chiral building blocks for 2-pyrrolidinones and other derivatives. 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... | |
Synonyms
| 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 |
