CAS 540-80-7|t-butyl nitrite
Introduction：Basic information about CAS 540-80-7|t-butyl nitrite, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | t-butyl nitrite | ||
|---|---|---|---|
| CAS Number | 540-80-7 | Molecular Weight | 103.120 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 63.5±9.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | -21.4±13.2 °C |
| Symbol | GHS02, GHS07 | Signal Word | Danger |
Names
| Name | tert-Butyl nitrite |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 63.5±9.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 |
| Molecular Weight | 103.120 |
| Flash Point | -21.4±13.2 °C |
| Exact Mass | 103.063332 |
| PSA | 38.66000 |
| LogP | 1.74 |
| Vapour Pressure | 183.3±0.1 mmHg at 25°C |
| Index of Refraction | 1.402 |
| InChIKey | IOGXOCVLYRDXLW-UHFFFAOYSA-N |
| SMILES | CC(C)(C)ON=O |
| Storage condition | 2-8°C |
| Water Solubility | slightly soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 308 mg/kg
- TOXIC EFFECTS :
- Liver - other changes Blood - methemoglobinemia-carboxyhemoglobin
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10852 ppm/1H
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Kidney, Ureter, Bladder - urine volume increased
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 187 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1000 ppm/7H/60D-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - changes in lung weight Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 umol/plate
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 35,3847,1986
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 umol/plate
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 35,3847,1986
Safety Information
| Symbol | GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H302 + H332 |
| Precautionary Statements | P210 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
| Hazard Codes | F:Flammable |
| Risk Phrases | R11;R20/22 |
| Safety Phrases | S16-S24-S46 |
| RIDADR | UN 2351 3/PG 2 |
| WGK Germany | 1 |
| RTECS | RA0802000 |
| Packaging Group | II |
| Hazard Class | 3 |
| HS Code | 29209085 |
Customs
| HS Code | 2920909090 |
|---|---|
| Summary | 2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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| Chemoselective nitration of aromatic sulfonamides with tert-butyl nitrite. Chem. Commun. (Camb.) 49(5) , 514-6, (2013) A methodology for the efficient conversion of aromatic sulfonamides into their mono-nitro derivatives using tert-butyl nitrite is reported. The reaction exhibits a high degree of chemoselectivity for ... |
Synonyms
| Nitrous acid, 1,1-dimethylethyl ester |
| EINECS 208-757-0 |
| Nitrous acid, t-butyl ester |
| tert-Butylnitrite |
| 4-01-00-01622 (Beilstein Handbook Reference) |
| 2-Methyl-2-propanyl nitrite |
| t-butyl nitrite |
| 1,1-Dimethylethyl nitrite |
| Nitrous acid, 1,1-dimethylethyl ester (9CI) |
| tert-Butyl nitrite |
| Nitrous Acid tert-Butyl Ester |
| MFCD00002055 |
| α,α-Dimethylethyl nitrite |
