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

Butyl nitrite
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

Butyl nitrite

 EINECS 208-862-1
CAS No. 544-16-1 Density 0.99 g/cm3
PSA 38.66000 LogP 1.48450
Solubility Slightly soluble in water Melting Point N/A
Formula C4H9NO2 Boiling Point 78.8 °C at 760 mmHg
Molecular Weight 103.121 Flash Point -13.333 °C
Transport Information UN 2351 3/PG 2 Appearance Clear yellow liquid
Safety 16-24-45 Risk Codes 11-23/25
Molecular Structure Molecular Structure of 544-16-1 (1-Butyl nitrite) Hazard Symbols FlammableF,ToxicT
Synonyms

UNII-44P8QG0F3T;Butyl nitrite;BRN 1701036;NSC 8426;NCI-C56553;CCRIS 838;

Article Data 31

Butyl nitrite Synthetic route

71-36-3

butan-1-ol

544-16-1

n-Butyl nitrite

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In water at 0℃; for 1h;80%
With tert.-butylnitrite In chloroform at 26℃; Equilibrium constant;
With nitrosylchloride In tetrachloromethane; acetic acid at 5℃; Thermodynamic data; Equilibrium constant; Rate constant; Ea, ΔH, ΔG, ΔS; various temperatures and solvent composition; solvent-jump relaxation; mechanism;
109-65-9

1-bromo-butane

A

544-16-1

n-Butyl nitrite

B

627-05-4

1-nitrobutane

Conditions
ConditionsYield
With tetraphenylphosphonium nitrite (ionic form) Yield given. Yields of byproduct given;
With silver(I) nitrite; diethyl ether
With silver(I) nitrite; Petroleum ether
With tetraphenylphosphonium nitrite (ionic form) Yield given. Yields of byproduct given;
542-69-8

1-iodo-butane

A

544-16-1

n-Butyl nitrite

B

627-05-4

1-nitrobutane

Conditions
ConditionsYield
With tetraphenylphosphonium nitrite (ionic form) Yield given. Yields of byproduct given;
With silver(I) nitrite; Petroleum ether
With silver(I) nitrite; diethyl ether
With tetraphenylphosphonium nitrite (ionic form) Yield given. Yields of byproduct given;
2372-45-4

sodium butanolate

544-16-1

n-Butyl nitrite

Conditions
ConditionsYield
With dichloromethane; dinitrogen tetraoxide; butan-1-ol
19062-98-7

1-Butoxy radical

A

544-16-1

n-Butyl nitrite

B

123-72-8

butyraldehyde

Conditions
ConditionsYield
With H2(15)NO at 175℃; Product distribution; ratios of disproportion to combination reactions; labeled by 15N;
142-96-1

dibutyl ether

A

544-16-1

n-Butyl nitrite

B

123-72-8

butyraldehyde

Conditions
ConditionsYield
With Cu(NO3)2-SiO2 In tetrachloromethane for 1h; Heating; Yield given. Yields of byproduct given;
106-97-8

n-butane

A

544-16-1

n-Butyl nitrite

B

928-45-0

butyl nitrate

C

924-43-6

sec-butyl nitrite

D

600-24-8, 116783-22-3

2-nitrobutane

E

924-52-7

2-butyl nitrate

F

627-05-4

1-nitrobutane

Conditions
ConditionsYield
With dihydrogen peroxide; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;A 6 % Chromat.
B 0.3 % Chromat.
C 31 % Chromat.
D 51 % Chromat.
E 3 % Chromat.
F 7 % Chromat.
...Expand
109-65-9

1-bromo-butane

silver nitrite

silver nitrite

A

544-16-1

n-Butyl nitrite

B

627-05-4

1-nitrobutane

542-69-8

1-iodo-butane

silver nitrite

silver nitrite

A

544-16-1

n-Butyl nitrite

B

627-05-4

1-nitrobutane

109-52-4

valeric acid

NaNO3

NaNO3

natrium carbonate

natrium carbonate

A

544-16-1

n-Butyl nitrite

B

928-45-0

butyl nitrate

C

591-68-4

butyl valerate

D

racbutanediol-(2.3)-dinitrate(?)

racbutanediol-(2.3)-dinitrate(?)

Conditions
ConditionsYield
Reaktion des Natriumsalzes; Produkt 5: Octan; Produkt 6: Octandioldinitrat.Electrolysis;
...Expand

Butyl nitrite Consensus Reports

Reported in EPA TSCA Inventory.

Butyl nitrite Specification

The Butyl nitrite with CAS registry number of 544-16-1 is also known as Nitrous acid, butyl ester. The IUPAC name is Butyl nitrite. It belongs to product categories of Organics; Carboxylic; Nitrogen Compounds; Organic Building Blocks; Organic Nitrates/Nitrites. Its EINECS registry number is 208-862-1. In addition, the formula is C4H9NO2 and the molecular weight is 103.12. This chemical is a clear yellow liquid and should be stored at the temperature of 0-6 °C.

Physical properties about Butyl nitrite are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.41; (5)ACD/BCF (pH 7.4): 23.41; (6)ACD/KOC (pH 5.5): 332.58; (7)ACD/KOC (pH 7.4): 332.58; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.415; (11)Molar Refractivity: 26.08 cm3; (12)Molar Volume: 104 cm3; (13)Surface Tension: 31.1 dyne/cm; (14)Density: 0.99 g/cm3; (15)Enthalpy of Vaporization: 30.64 kJ/mol; (16)Boiling Point: 78.8 °C at 760 mmHg; (17)Vapour Pressure: 101 mmHg at 25 °C.

Preparation of Butyl nitrite: it is prepared by reaction of butan-1-ol. The reaction needs reagents NaNO2, H2SO4 and solvent H2O at the temperature of 0 °C for 1 hour. The yield is about 80%.

Butyl nitrite is prepared by reaction of butan-1-ol.

Uses of Butyl nitrite: it can be used as solvent, analytical reagent and organic synthesis intermediate. Besides, it is used to produce N-nitroso-N-(n-butoxymethyl)-2-chlorophenylamine by reaction with 1,3,5-tris-(2-chloro-phenyl)-hexahydro-[1,3,5]triazine. The reaction occurs with solvent CH2Cl2 and other condition of heating for 2 hours. The yield is about 70%.

Butyl nitrite is used to produce N-nitroso-N-(n-butoxymethyl)-2-chlorophenylamine by reaction with 1,3,5-tris-(2-chloro-phenyl)-hexahydro-[1,3,5]triazine.

When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable that you keep away from sources of ignition. This chemical is also toxic by inhalation and if swallowed. During using it, avoid contact with skin. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCON=O
2. InChI: InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
3. InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 153mg/kg (153mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Annals of Internal Medicine. Vol. 92, Pg. 570, 1980.
mouse LC50 inhalation 567ppm/1H (567ppm) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED		 Fundamental and Applied Toxicology. Vol. 1, Pg. 448, 1981.
mouse LD50 intraperitoneal 158mg/kg (158mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 oral 171mg/kg (171mg/kg) LIVER: OTHER CHANGES

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN		 Research Communications in Substances Abuse. Vol. 3, Pg. 233, 1982.
rat LC50 inhalation 420ppm/4H (420ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: EXCITEMENT		 Fundamental and Applied Toxicology. Vol. 8, Pg. 101, 1987.
rat LD50 oral 83mg/kg (83mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: REGIDITY

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 JAT, Journal of Applied Toxicology. Vol. 1, Pg. 30, 1981.

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 544-16-1