t-butyl nitrite

Modify Date: 2025-08-21 08:40:39

t-butyl nitrite Structure
t-butyl nitrite structure
 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 N/A
MSDS Chinese USA Flash Point -21.4±13.2 °C
Symbol GHS02 GHS07
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

RTECS NUMBER :
RA0802000
CHEMICAL NAME :
Nitrous acid, t-butyl ester
CAS REGISTRY NUMBER :
540-80-7
BEILSTEIN REFERENCE NO. :
1209339
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H9-N-O2
MOLECULAR WEIGHT :
103.14
WISWESSER LINE NOTATION :
ONOX1&1&1

HEALTH HAZARD DATA

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

 Safety Information

Symbol GHS02 GHS07
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

 Synthetic Route

 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%

 Articles12

More Articles
The convenient preparation of stable aryl-coated zerovalent iron nanoparticles.

Beilstein J. Nanotechnol. 6 , 1192-8, (2015)

A novel approach for the in situ synthesis of zerovalent aryl-coated iron nanoparticles (NPs) based on diazonium salt chemistry is proposed. Surface-modified zerovalent iron NPs (ZVI NPs) were prepare...

Gas-phase tyrosine-to-cysteine radical migration in model systems.

Eur. J. Mass Spectrom. (Chichester, Eng.) 21 , 589-97, (2015)

Radical migration, both intramolecular and intermolecular, from the tyrosine phenoxyl radical Tyr(O(∙)) to the cysteine radical Cys(S(∙)) in model peptide systems was observed in the gas phase. Ion-mo...

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
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