Butyl nitrite
Names
[ CAS No. ]:
544-16-1
[ Name ]:
Butyl nitrite
[Synonym ]:
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
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
[ Water Solubility ]:
SLIGHTLY SOLUBLE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RA0780000
- CHEMICAL NAME :
- Nitrous acid, butyl ester
- CAS REGISTRY NUMBER :
- 544-16-1
- BEILSTEIN REFERENCE NO. :
- 1701036
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C4-H9-N-O2
- MOLECULAR WEIGHT :
- 103.14
- WISWESSER LINE NOTATION :
- ONO4
HEALTH HAZARD DATA
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
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...