1712-64-7

Basic information

• Product Name: Isopropyl nitrate
• Synonyms: ISOPROPYL NITRATE;2-propyl nitrate;(CH3)2CHONO2;Isopropylester kyseliny dusicne;isopropylesterkyselinydusicne;Nitric acid, isopropyl ester;nitricacid,1-methylethylester;nitricacid,isopropylester
• CAS NO: 1712-64-7
• Molecular Formula: C₃H₇NO₃
• Molecular Weight: 105.09
• EINECS: 216-983-6
• Product Categories: Alkylnitrate;Intermediate;Nitro;Organic Nitrates/Nitrites;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Organic Nitrates/Nitrites
• Mol File: 1712-64-7.mol
• Article Data: 13

Chemical Properties

• Melting Point: -99.99°C
• Boiling Point: 101-102 °C(lit.)
• Flash Point: 55 °F
• Appearance: Colorless liquid
• Density: 1.040 g/mL at 20 °C(lit.)
• Vapor Pressure: 43.7mmHg at 25°C
• Refractive Index: n20/D 1.391(lit.)
• Water Solubility: Partly miscible in water.
• Stability: Stability Highly flammable. Incompatible with strong reducing agents, strong acids, finely powdered metals, tin chloride, boron
• BRN: 1701405
• CAS DataBase Reference: Isopropyl nitrate(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl nitrate(1712-64-7)
• EPA Substance Registry System: Isopropyl nitrate(1712-64-7)

Safety Data

• Hazard Codes: O,F,Xn,Xi
• Statements: 5-8-11-20
• Safety Statements: 16-17-33-7/9
• RIDADR: UN 1222 3/PG 2
• WGK Germany: 3
• RTECS: QU8930000
• TSCA: Yes
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 1712-64-7(Hazardous Substances Data)

Usage

Chemical Properties

colourless liquid

Uses

Different sources of media describe the Uses of 1712-64-7 differently. You can refer to the following data:
1. Isopropyl nitrate is used as a diesel cetane improver.
2. Isopropyl nitrate is a monopropellant with large detonation length scale. This can increase the diagnostic resolution as a result of which it can be used as a substitute for nitromethane, to study homogenous liquid explosives. It can also be used in the synthesis of 1,2-dimethoxy-4-(nitromethyl)benzene, a nitro alkane derivative which can be converted to the corresponding carboxylic acid in a continuous flow reactor via Nef oxidation method.

General Description

A clear colorless liquid with a pleasant odor. Flash point 32 to 73°F. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Organonitrates, such as Isopropyl nitrate , range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Contact with either strong oxidizers or with combustibles may cause fires and explosions.

Hazard

Oxidizing material, fire risk in contact with organic materials.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

InChI:InChI=1/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

Upstream product

• 75-26-3 isopropyl bromide 
• 74-98-6 propane 
• 108-20-3 di-isopropyl ether 
• 65424-60-4 2-methylpropionyl peroxynitrate 
• 4399-86-4 prop-2-ylperoxyl radical 
• 78448-33-6 1-isopropoxy-2-methyl-propane 
• 565-75-3 2,3,4-trimethylpentane 
• 107-92-6 butyric acid 
• 67-63-0 isopropyl alcohol 

Downstream Products

• 10102-43-9 nitrogen(II) oxide 
• 10102-44-0 Nitrogen dioxide 
• 67-64-1 acetone 
• 98-82-8 Isopropylbenzene 
• 187737-37-7 propene 
• 67-63-0 isopropyl alcohol 

Relevant articles and documents

Kinetics of the C3H7O2 + NO reaction: Temperature dependence of the overall rate constant and the i-C3H7ONO2 branching channel

The temperature dependence of the overall rate constant for the C3H7O2 + NO reaction and the rate constant for the minor branching-channel resulting in the production of i-C3H7ONO2 have been measured using the turbulent flow technique with high-pressure chemical ionization mass spectrometry for the detection of reactants and products. The temperature dependence of the overall rate constant for the C3H7O2 + NO reaction was investigated between 298 and 213 K at 100 Torr pressure, and the data were fit by the following Arrhenius expression (with 2 standard deviation error limits indicated): 43-0.9+1.0 x 10-12 exp[(268 ± 56)/T] cm3 molecule-1 s-1. This expression agrees well with previous isomer-specific measurements of the n-C3H7ONO2 and i-C3O2 + NO rate constants made at lower pressures. The temperature dependence of the rate constant for the minor reaction channel i-C3H7O2 + NO → i-C3H7ONO2 was investigated between 298 and 213 K at 100 Torr pressure. The following Arrhenius expression was determined for the minor channel: 4.9-2.9+5.3 × 10-16 exp[(1380 ± 230)/T] cm3 molecule-3 s-1. The Arrhenius expressions for the overall rate and the i-C3H7ONO2 producing channel indicate a branching ratio of about 0.006 at 298 K and 0.020 at 213 K at 100 Torr pressure, which is in good agreement with the predictions of a recently revised empirical model for alkyl nitrate branching ratios.

Nitration of alcohols by nitryl fluoride

A general method for the preparation of nitrates by treatment of alcohols with nitryl fluoride (FNO2) in MeCN in the presence of KF has been developed.

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Rates of Reaction between the Nitrate Radical and Some Aliphatic Alcohols

Rate coefficients for the gas-phase reaction of NO3 with methanol, ethanol and propan-2-ol have been determined.Absolute rates were measured at temperatures between 258 and 367 K using the fast flow-discharge technique.The measured rate coefficients (in units of 1E-15 cm3 molecule-1 s-1) at 295 K are: 0.132+/-0.024, 1.37+/-0.10 and 3.13+/-0.64 for methanol, ethanol and propan-2-ol, respectively.The temperature dependence of the rate coefficients can be expressed as Arrhenius equations: kmethanol = (1.06+/-0.51) E-12exp, kethanol = (6.99+/-1.21)E-13 exp and kpropan-2-ol = (1.54+/-0.75)E-12 exp (in units cm3 molecule-1 s-1).An attempted product study, using N2O5 as the NO3 source, failed since the alcohols react with N2O5, producing alkyl nitrates.The estimated upper limit for rate coefficients for reaction of N2O5 with methanol, ethanol and propan-2-ol at 296 K in the gas phase were (2.0+/-1.0)E-19, (3.9+/-2.0)E-19 and (4.8+/-2.5)E-19 cm3 molecule-1 s-1, respectively.The error limits correspond to the 95percent-confidence interval.