t-butyl nitrite

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Names

[ CAS No. ]:
540-80-7

[ Name ]:
t-butyl nitrite

[Synonym ]:
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

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

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzyln-butylether
  • tert-Butanol
  • tert-butyl chloride
  • 2-Bromo-2-methylpropane
  • tert-Butyl Hydroperoxide
  • tert-butoxy
  • 3,3-Dimethylbutanal
  • Nitrous acid, methylester
  • Isopropyl nitrite
  • Ethanol solution

DownStream

  • 3-Bromo-5-chloropyrazine-2-carbonitrile
  • 2-Chloro-1,3-thiazole-5-carbonitrile
  • Ethyl 2-chlorooxazole-4-carboxylate
  • 5-Bromoindazole
  • 2-bromo-5-(4-bromo-3,5-dimethylphenyl)-1,3-dimethylbenzene
  • 1-bromo-2-methylsulfanyl-4-(trifluoromethyl)benzene
  • 1-Isoquinolinecarbaldehyde
  • isoquinoline-1-carbaldehyde-oxime
  • Propanimidoyl chloride,3-chloro-N-hydroxy-2-oxo-
  • 1-bromo-4-prop-2-enyl-benzene

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%

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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...

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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 ...


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