Introduction：Basic information about CAS 5459-58-5|N-Butyl cyanoacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | N-Butyl cyanoacetate |
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| CAS Number | 5459-58-5 | Molecular Weight | 141.168 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 233.7±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H11NO2 | Melting Point | -80ºC |
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| MSDS | ChineseUSA | Flash Point | 87.2±0.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | n-Butyl cyanoacetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 233.7±0.0 °C at 760 mmHg |
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| Melting Point | -80ºC |
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| Molecular Formula | C7H11NO2 |
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| Molecular Weight | 141.168 |
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| Flash Point | 87.2±0.0 °C |
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| Exact Mass | 141.078979 |
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| PSA | 50.09000 |
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| LogP | 1.12 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.427 |
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| InChIKey | DJACTCNGCHPGOI-UHFFFAOYSA-N |
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| SMILES | CCCCOC(=O)CC#N |
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| Water Solubility | IMMISCIBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AG3692500
- CHEMICAL NAME :
- Acetic acid, cyano-, butyl ester
- CAS REGISTRY NUMBER :
- 5459-58-5
- BEILSTEIN REFERENCE NO. :
- 1761735
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H11-N-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4180 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6270 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H312 + H332-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S26-S27-S36/37/39 |
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| RIDADR | UN 3276 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | AG3692500 |
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| Packaging Group | III |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Articles1
More Articles
| Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions. Tetrahedron 65(4) , 849-854, (2009)
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Synonyms
| tert-Butyl cyanoacetate |
| Acetic acid, 2-cyano-, butyl ester |
| 2-Methyl-2-propanyl cyanoacetate |
| EINECS 226-730-1 |
| Butyl cyanoacetate |
| tert-Butylcyanacetat |
| MFCD00001941 |
| Acetic acid, cyano-, 1,1-dimethylethyl ester |
| Acetic acid, cyano-, tert-butyl ester |
| butyl 2-cyanoacetate |
| Acetic acid, 2-cyano-, 1,1-dimethylethyl ester |
