Butyl nitrite

Modify Date: 2024-01-02 12:12:25

Butyl nitrite Structure
Butyl nitrite structure
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 N/A
MSDS Chinese USA Flash Point -13.3±0.0 °C
Symbol GHS02 GHS06
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
Water Solubility SLIGHTLY SOLUBLE

 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
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

~77%

Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Dubery, Ian A.; Louw, Anna E.; Van Heerden, Fanie R. Phytochemistry, 1999 , vol. 50, # 6 p. 983 - 989

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Journal of the Chemical Society, Chemical Communications, , # 3 p. 229 - 230

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Journal of the Chemical Society, Chemical Communications, , # 3 p. 229 - 230

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Journal of the American Chemical Society, , vol. 79, p. 5832

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Journal of Organic Chemistry, , vol. 55, # 21 p. 5606 - 5609

~6%

Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Detail
Literature: Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, , vol. 80, p. 609 - 616

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Journal of Physical Chemistry, , vol. 89, # 13 p. 2914 - 2916

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Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Helvetica Chimica Acta, , vol. 25, p. 639

~%

Butyl nitrite Structure

Butyl nitrite

CAS#:544-16-1

Literature: Justus Liebigs Annalen der Chemie, , vol. 579, p. 193,201

 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
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