CAS 544-16-1|Butyl nitrite
Introduction：Basic information about CAS 544-16-1|Butyl nitrite, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butyl nitrite | ||
|---|---|---|---|
| CAS Number | 544-16-1 | Molecular Weight | 103.120 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 78.8±3.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | -13.3±0.0 °C |
| Symbol | GHS02, GHS06 | Signal Word | Danger |
Names
| Name | 1-Butyl nitrite |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 78.8±3.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 |
| Molecular Weight | 103.120 |
| Flash Point | -13.3±0.0 °C |
| Exact Mass | 103.063332 |
| PSA | 38.66000 |
| LogP | 2.11 |
| Vapour Pressure | 101.0±0.1 mmHg at 25°C |
| Index of Refraction | 1.416 |
| InChIKey | JQJPBYFTQAANLE-UHFFFAOYSA-N |
| SMILES | CCCCON=O |
| Water Solubility | SLIGHTLY SOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 153 mg/kg
- TOXIC EFFECTS :
- Blood - methemoglobinemia-carboxyhemoglobin
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 83 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 420 ppm/4H
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 171 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 :
- 567 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 :
- 158 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 :
- 300 ppm/7H/60D-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - changes in lung weight Endocrine - changes in spleen weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 2820 umol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 14,115,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 2820 umol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 14,115,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993
Safety Information
| Symbol | GHS02, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H331 |
| Precautionary Statements | P210-P261-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | F:Flammable;T:Toxic; |
| Risk Phrases | R11;R23/25 |
| Safety Phrases | S16-S24-S45 |
| RIDADR | UN 2351 3/PG 2 |
| WGK Germany | 1 |
| RTECS | RA0780000 |
| Packaging Group | II |
| Hazard Class | 3.1 |
| HS Code | 2920909090 |
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% |
Articles26
More Articles| 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 ... | |
| Post-translational modification in the gas phase: mechanism of cysteine S-nitrosylation via ion-molecule reactions. Rapid Commun. Mass Spectrom. 25(21) , 3216-22, (2011) The gas-phase mechanism of S-nitrosylation of thiols was studied in a quadrupole ion trap mass spectrometer. This was done via ion-molecule reactions of protonated cysteine and many of its derivatives... | |
| Acute effects of some volatile nitrites on motor performance and lethality in mice. Neurobehav. Toxicol. Teratol. 8(2) , 139-42, (1986) Mice were examined for effects on lethality and motor performance on an inverted screen test following inhalation exposure to isoamyl, n-butyl and isobutyl nitrite. All three nitrites produced concent... |
Synonyms
| Butyl ester of nitrous acid |
| Butyl nitrite |
| EINECS 208-862-1 |
| n-BUTYL NITRITE |
| Nitrous acid, n-butyl ester |
| 1-Butyl nitrite |
| Nitrous acid, butyl ester |
| MFCD00002058 |
