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Isopropyl nitrite

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Name

Isopropyl nitrite

EINECS 208-779-0
CAS No. 541-42-4 Density 1.02 g/cm3
Solubility Melting Point
Formula C3H7NO2 Boiling Point 39 °C at 760 mmHg
Molecular Weight 89.09 Flash Point -37℃
Transport Information Appearance Gray yellow oily liquid
Safety Risk Codes
Molecular Structure Molecular Structure of 541-42-4 (Isopropyl nitrite) Hazard Symbols
Synonyms

Nitrous acid,1-methylethyl ester;Nitrous acid, isopropyl ester (8CI);

 

Isopropyl nitrite Consensus Reports

Reported in EPA TSCA Inventory.

Isopropyl nitrite Standards and Recommendations

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

Isopropyl nitrite 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.

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