CAS No.544-16-1,1-Butyl nitrite Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	544-16-1
Name:	1-Butyl nitrite
Article Data:	31

Formula:	C₄H₉NO₂
Molecular Weight:	103.121
Synonyms:	UNII-44P8QG0F3T;Butyl nitrite;BRN 1701036;NSC 8426;NCI-C56553;CCRIS 838;
EINECS:	208-862-1
Density:	0.99 g/cm³
Boiling Point:	78.8 °C at 760 mmHg
Flash Point:	-13.333 °C
Solubility:	Slightly soluble in water
Appearance:	Clear yellow liquid
Hazard Symbols:	F,T
Risk Codes:	11-23/25
Safety:	16-24-45
Transport Information:	UN 2351 3/PG 2
PSA:	38.66000
LogP:	1.48450

Synthetic route

: 71-36-3
butan-1-ol

: 544-16-1
n-Butyl nitrite

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 542-69-8
1-iodo-butane

silver nitrite: silver nitrite

A: 544-16-1
n-Butyl nitrite

B: 627-05-4
1-nitrobutane

...Expand

: 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

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

...Expand

Raw Materials

2372-45-4

542-69-8

19062-98-7

109-52-4

56-23-5

106-97-8

109-65-9

71-36-3

Downstream Products

33108-89-3

930-55-2

15028-10-1

614-00-6

542-52-9

3972-56-3

71-36-3

107649-71-8

Total:49 Page 1 of 2 1 2 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

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%.

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.