Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Tert-butyl Nitrite

Related Products

Hot Products

Name

Tert-butyl Nitrite

EINECS 208-757-0
CAS No. 540-80-7 Density 0.958 g/cm3
PSA 38.66000 LogP 1.48290
Solubility slightly soluble in water Melting Point N/A
Formula C4H9NO2 Boiling Point 63.498 °C at 760 mmHg
Molecular Weight 103.121 Flash Point ?10 °F
Transport Information UN 2351 3/PG 2 Appearance clear yellow liquid
Safety 16-24-46 Risk Codes 11-20/22
Molecular Structure Molecular Structure of 540-80-7 (tert-Butyl nitrite) Hazard Symbols FlammableF, HarmfulXn
Synonyms

tert-Butyl Nitrite; tert-butyl nitrite; Nitrous Acid tert-Butyl Ester; tert-Butylnitrite;

Article Data 44

Tert-butyl Nitrite Synthetic route

75-65-0

tert-butyl alcohol

540-80-7

tert.-butylnitrite

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at -10℃; for 0.0777778h;98%
With sulfuric acid; sodium nitrite In water at 0℃; for 2h;50%
With 2-ethoxyethyl nitrite In chloroform at 26℃; Equilibrium constant; Mechanism;
3459-80-1

t-butoxymethylbenzene

A

540-80-7

tert.-butylnitrite

B

926-05-6

tert-butyl nitrate

C

100-52-7

benzaldehyde

Conditions
ConditionsYield
With nitric acid In dichloromethane at 20℃; for 1h;A n/a
B n/a
C 88%

[Cl2NNF6]Cu(κ2-O2N)*THF

75-65-0

tert-butyl alcohol

A

540-80-7

tert.-butylnitrite

B

{[Cl2NNF6]Cu}2(μ-hydroxo)2

Conditions
ConditionsYield
In benzene-d6 for 8h; Concentration;A 45 %Spectr.
B 71%
507-20-0

tertiary butyl chloride

A

540-80-7

tert.-butylnitrite

B

594-70-7

2-Methyl-2-nitropropane

Conditions
ConditionsYield
With silver(I) nitrite; diethyl ether
507-19-7

t-butyl bromide

A

540-80-7

tert.-butylnitrite

B

594-70-7

2-Methyl-2-nitropropane

Conditions
ConditionsYield
With silver(I) nitrite unter Kuehlung;
621-75-0

glycerine trinitrite

75-65-0

tert-butyl alcohol

540-80-7

tert.-butylnitrite

Conditions
ConditionsYield
durch Destillieren;
beim Destillieren;
75-91-2

tert.-butylhydroperoxide

A

540-80-7

tert.-butylnitrite

B

926-05-6

tert-butyl nitrate

C

67-64-1

acetone

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With dinitrogen tetraoxide; Nitrogen dioxide In hexane at -0.1℃; Kinetics; Product distribution; further reagent, solvent, different reaction protocols;
624-91-9

methyl nitrite

75-65-0

tert-butyl alcohol

A

67-56-1

methanol

B

540-80-7

tert.-butylnitrite

Conditions
ConditionsYield
In chloroform at 25℃; Equilibrium constant; also in MeCN;
541-42-4

i-propyl nitrite

75-65-0

tert-butyl alcohol

A

540-80-7

tert.-butylnitrite

B

67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In chloroform at 25℃; Equilibrium constant;
109-95-5

ethyl nitrite

75-65-0

tert-butyl alcohol

A

540-80-7

tert.-butylnitrite

B

64-17-5

ethanol

Conditions
ConditionsYield
In chloroform at 25℃; Equilibrium constant;

Tert-butyl Nitrite Specification

Tert-butyl Nitrite is a metal-free radical initiator for aerobic cleavage of benzylic CC bonds in compressed carbon dioxide. It is also called 1,1-dimethylethylnitrite; 2-methyl-2-nitritopropane; alpha,alpha-Dimethylethyl nitrite; Nitrous acid, 1,1-dimethylethyl ester; Nitrousacid,t-butylester; Nitrous acid, t-butyl ester; Nitrousacid,1,1-dimethylethylester; Alpha,alpha-dimethylethylnitrite. It is colorless transparent or yellowish liquid with the relative density of 0.867, soluble in aether and ethanol etc. Not soluble in water. It has special odor and freely decomposable with exposition to light. It enjoys good developing prospect, widely applicable to pharmachemical industry, particulary to the manufacture of the important intermediates of new anti-cancer drugs.

Physical properties about Tert-butyl Nitrite are: (1)ACD/LogP: 1.477; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.81; (5)ACD/BCF (pH 7.4): 7.81; (6)ACD/KOC (pH 5.5): 151.50; (7)ACD/KOC (pH 7.4): 151.50; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 26.247 cm3; (12)Molar Volume: 107.684 cm3; (13)Polarizability: 10.405 10-24cm3; (14)Surface Tension: 27.1030006408691 dyne/cm; (15)Density: 0.958 g/cm3; (16)Flash Point: -21.396 °C; (17)Enthalpy of Vaporization: 29.299 kJ/mol; (18)Boiling Point: 63.498 °C at 760 mmHg; (19)Vapour Pressure: 183.253005981445 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3;
(2)InChIKey=IOGXOCVLYRDXLW-UHFFFAOYSA-N;
(3)SmilesO(C(C)(C)C)N=O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10852ppm/1H (10852ppm) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Fundamental and Applied Toxicology. Vol. 1, Pg. 448, 1981.
mouse LD50 intraperitoneal 187mg/kg (187mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
 
mouse LD50 oral 308mg/kg (308mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: OTHER CHANGES
Research Communications in Substances Abuse. Vol. 3, Pg. 233, 1982.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 540-80-7