CAS No.541-42-4,Isopropyl nitrite Suppliers

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Basic Information

Molecular Structure:
CAS No.:	541-42-4
Name:	Isopropyl nitrite
Article Data:	33

Formula:	C₃H₇NO₂
Molecular Weight:	89.0941
Synonyms:	Nitrous acid,1-methylethyl ester;Nitrous acid, isopropyl ester (8CI);
EINECS:	208-779-0
Density:	1.02 g/cm³
Melting Point:	134-139?°C(lit.)
Boiling Point:	39 °C at 760 mmHg
Flash Point:	-37℃
Appearance:	Gray yellow oily liquid
Hazard Symbols:	O,T
Risk Codes:	8-11-23/24/25-36/37/38
Safety:	17-26-36/37/39-45
PSA:	38.66000
LogP:	1.09280

Synthetic route

: 67-63-0
isopropyl alcohol

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite In dichloromethane; water at 15℃; for 1h;	84%
With nitrogen(II) oxide; Nitrogen dioxide at -5 - 30℃; for 0.5 - 1.5h; Product distribution / selectivity;	52%
With tert.-butylnitrite In chloroform at 26℃; Equilibrium constant;

: 75-30-9
2-iodo-propane

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite

: 996-30-5
isobutyric acid sodium salt

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With sodium nitrate; sodium carbonate Electrolysis.an einer Platinanode;

: 75-26-3
isopropyl bromide

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite

: 74-98-6
propane

A: 541-42-4
i-propyl nitrite

B: 543-67-9
n-propyl nitrite

C: 1712-64-7
isopropyl nitrate

D: 627-13-4
propyl nitrate

E: 79-46-9
2-nitropropane

F: 108-03-2
1-Nitropropane

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 12 % Chromat. B 7 % Chromat. C 16 % Chromat. D 5 % Chromat. E 46 % Chromat. F 14 % Chromat.

...Expand

: 74-98-6
propane

A: 541-42-4
i-propyl nitrite

B: 1712-64-7
isopropyl nitrate

C: 627-13-4
propyl nitrate

D: 79-46-9
2-nitropropane

E: 108-03-2
1-Nitropropane

F: 67-64-1
acetone

Conditions

Conditions	Yield
With dihydrogen peroxide; oxygen; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various O2 concn.;

...Expand

: 540-80-7
tert.-butylnitrite

: 67-63-0
isopropyl alcohol

A: 541-42-4
i-propyl nitrite

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In chloroform at 25℃; Equilibrium constant;

...Expand

: 75-52-5
nitromethane

: 67-63-0
isopropyl alcohol

A: 76-09-5
2,3-dimethyl-2,3-butane diol

B: 541-42-4
i-propyl nitrite

C: 2717-67-1, 17606-84-7, 37765-15-4
cis nitrosomethane dimer

D: 2717-67-1, 17606-84-7, 37765-15-4
trans-nitrosomethane dimer

E: 67-64-1
acetone

F: 2-hydroxy-2-propyl-azodioxymethane

Conditions

Conditions	Yield
at 18℃; Product distribution; Mechanism; Quantum yield; Irradiation; var. wavelenghts, var. irradiation time;

...Expand

: 624-91-9
methyl nitrite

: 67-63-0
isopropyl alcohol

A: 67-56-1
methanol

B: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
In acetonitrile at 25℃; Equilibrium constant;

...Expand

: 3958-66-5
2-propoxy radical

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With nitrogen(II) oxide at 288℃; under 50 Torr; Kinetics; Further Variations:; Temperatures; Pressures; Addition; Photolysis;

Raw Materials

67-63-0

74-98-6

75-30-9

996-30-5

119-61-9

3958-66-5

624-91-9

75-26-3

Downstream Products

108-18-9

59044-05-2

3958-66-5

4773-13-1

75-07-0

540-80-7

624-91-9

10102-43-9

Total:50 Page 1 of 2 1 2 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

Environmental standards :
former Soviet air workshop harmful substances maximum allowable concentration 1mg/m³

Specification

The Isopropyl nitrite, with the CAS registry number 541-42-4,is also known as Nitrous acid 1-methylethyl ester; Nitrous acid isopropyl ester. It belongs to the product categories of Organic matters. Its EINECS number is 208-779-0. This chemical's molecular formula is C₃H₇NO₂ and molecular weight is 89.09. What's more,Its systematic name is Isopropyl nitrite. It can be used as fuel and the industry for the synthesis of organic intermediates.

Physical properties about Isopropyl nitrite are:
(1)ACD/LogP: 1.066; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.80; (6)ACD/BCF (pH 7.4): 3.80; (7)ACD/KOC (pH 5.5): 90.54; (8)ACD/KOC (pH 7.4): 90.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 21.291 cm³; (14)Molar Volume: 86.937 cm³; (15)Surface Tension: 27.8570003509521 dyne/cm; (16)Density: 1.025 g/cm³; (17)Flash Point: -36.829 °C; (18)Enthalpy of Vaporization: 27.188 kJ/mol; (19)Boiling Point: 39.027 °C at 760 mmHg; (20)Vapour Pressure: 458.158996582031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=NOC(C)C;
(2)Std. InChI:InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3;
(3)Std. InChIKey:SKRDXYBATCVEMS-UHFFFAOYSA-N.

The toxicity data of Isopropyl nitrite are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	2800mg/m3 (2800mg/m3)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(10), Pg. 29, 1966.
rat	LC50	inhalation	1250mg/m3/4H (1250mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 79, 1982.