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| CAS No.: | 1712-64-7 |
|---|---|
| Name: | Isopropyl nitrate |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7NO3 |
| Molecular Weight: | 105.093 |
| Synonyms: | Isopropylnitrate (6CI,7CI);Nitric acid, isopropyl ester (8CI);2-Propyl nitrate;Propan-2-yl nitrate; |
| EINECS: | 216-983-6 |
| Density: | 1.077 g/cm3 |
| Melting Point: | -99.99°C |
| Boiling Point: | 99.6 °C at 760 mmHg |
| Flash Point: | 12.8 °C |
| Solubility: | Partly miscible in water. |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 O,  F,  Xn,  Xi
|
| Risk Codes: | 5-8-11-20 |
| Safety: | 16-17-33-7/9 |
| Transport Information: | UN 1222 3/PG 2 |
| PSA: | 55.05000 |
| LogP: | 1.12630 |
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Chemistry
Molecular Structure of Isopropyl nitrate (CAS NO.1712-64-7):
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IUPAC Name: propan-2-yl nitrate
Molecular Formula: C3H7NO3
Formula Weight: 105.09
CAS Registry Number: 1712-64-7
EINECS: 216-983-6
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 55.05 Å2
Index of Refraction: 1.4
Molar Refractivity: 23.67 cm3
Molar Volume: 97.5 cm3
Surface Tension: 29.3 dyne/cm
Density: 1.077 g/cm3
Flash Point: 12.8 °C
Enthalpy of Vaporization: 32.49 kJ/mol
Boiling Point: 99.6 °C at 760 mmHg
Vapour Pressure: 43.7 mmHg at 25°C
InChI
InChI=1/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
Smiles
C(O[N+](=O)[O-])(C)C
Product Categories: Alkylnitrate; Intermediate; Nitro;Organic Nitrates/Nitrites; Nitrogen Compounds; Organic Building Blocks
Uses
Isopropyl nitrate (CAS NO.1712-64-7) mainly be used for vehicle fuel additives, auxiliary jet propellant. Also for pharmaceutical intermediates, solvents.
Production
Isopropyl nitrate (CAS NO.1712-64-7) in the presence of direct esterification. After separation, washing and drying, distillation process in products such as nitric acid isopropyl.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 65gm/m3/2H (65000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 78, 1982. | |
| rat | LC50 | inhalation | 29gm/m3/2H (29000mg/m3) | Farmakologiya i Toksikologiya Vol. 33, Pg. 110, 1970. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by inhalation. Flammable liquid and dangerous fire hazard when exposed to heat, spark, or flames. Ignites spontaneously when compressed. The pure vapor ignites spontaneously at very low temperatures and pressures. An explosive of low sensitivity. It can be used as a rocket monopropellant. When heated to decomposition it emits toxic fumes of NOx. Incompatible with Lewis acids. See also Nitrates.
Hazard Codes: 
O,
F,
Xn,
Xi
Risk Statements: 5-8-11-20
R5 :Heating may cause an explosion.
R8 :Contact with combustible material may cause fire.
R11:Highly flammable.
R20:Harmful by inhalation.
Safety Statements: 16-17-33-7/9
S16:Keep away from sources of ignition.
S17:Keep away from combustible material.
S33:Take precautionary measures against static discharges.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 1222 3/PG 2
WGK Germany: 3
RTECS: QU8930000
HazardClass: 3.1
PackingGroup: II
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Isopropyl nitrate , with CAS number of 1712-64-7, can be called Isopropylester kyseliny dusicne ; nitric acid, 1-methylethyl ester ; propan-2-yl nitrate . It is a colourless liquid with a pleasant odor, Isopropyl nitrate (CAS NO.1712-64-7) ranges 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.