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| CAS No.: | 924-43-6 |
|---|---|
| Name: | SEC-BUTYL NITRITE |
| Molecular Structure: | |
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| Formula: | C4H9 N O2 |
| Molecular Weight: | 103.121 |
| Synonyms: | Nitrousacid, sec-butyl ester (8CI); sec-Butyl nitrite (6CI,7CI); 2-Butyl nitrite |
| Density: | 0.99g/cm3 |
| Boiling Point: | 70.5°Cat760mmHg |
| Flash Point: | °C |
| Hazard Symbols: |
 
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| Risk Codes: | 11-20/22 |
| Safety: | Moderately toxic by ingestion, inhalation, and intraperitoneal routes. Mutation data reported. Flammable when exposed to heat or flame or by spontaneous chemical reaction. An oxidizer. Potentially explosive. To fight fire, use water, spray, foam, dry chemical. When heated to decomposition it emits toxic fumes of NOx. See also n-BUTYL NITRITE, NITRITES, and ESTERS. |
| PSA: | 38.66000 |
| LogP: | 1.48290 |
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Chemistry
EINECS of sec-Butyl nitrite (CAS NO.924-43-6): 213-104-8
Empirical Formula: C4H9NO2
Molecular Weight: 103.1198 g/mol
Index of Refraction: 1.416
Density: 0.99 g/cm3
Enthalpy of Vaporization: 29.91 kJ/mol
Boiling Point: 70.5 °C at 760 mmHg
Vapour Pressure: 140 mmHg at 25 °C
Structure of sec-Butyl nitrite (CAS NO.924-43-6):
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IUPAC Name: [(2S)-Butan-2-yl] nitrite
Canonical SMILES: CCC(C)ON=O
Isomeric SMILES: CC[C@H](C)ON=O
InChI: InChI=1S/C4H9NO2/c1-3-4(2)7-5-6/h4H,3H2,1-2H3/t4-/m0/s1
InChIKey: NFGNZNFBQAGBJA-BYPYZUCNSA-N
Toxicity Data With Reference
| 1. | mma-sat 1 mg/plate | BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale. 56 (1980),816. | ||
| 2. | orl-mus LD50:423 mg/kg | RCSADO Research Communications in Substances Abuse. 3 (1982),233. | ||
| 3. | ihl-mus LD50:1753 ppm/1H | FAATDF Fundamental and Applied Toxicology. 1 (1981),448. | ||
| 4. | ipr-mus LD50:592 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 48 (1979),A43. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion, inhalation, and intraperitoneal routes. Mutation data reported. Flammable when exposed to heat or flame or by spontaneous chemical reaction. An oxidizer. Potentially explosive. To fight fire, use water, spray, foam, dry chemical. When heated to decomposition sec-Butyl nitrite (CAS NO.924-43-6) emits toxic fumes of NOx. See also n-BUTYL NITRITE, NITRITES, and ESTERS.
Specification
sec-Butyl nitrite , its cas register number is 924-43-6. It also can be called Nitrous acid, 1-methylpropyl ester ; and Nitrous acid, sec-butyl ester .