Basic information
- CAS
1712-64-7- Standard SMILES
CC(C)O[N+](=O)[O-]- InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N- Molecular formula
- C3H7NO3
- Average molar mass
- 105.09 g/mol
- Monoisotopic mass
- 105.04259308
Overview
Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. 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.
Names & identifiers
- Preferred name
- Isopropyl nitrate
- IUPAC
- propan-2-yl nitrate
- English name
- Isopropyl nitrate
- Molecular formula
- C3H7NO3
- Molecular weight
- 105.09
Names & synonyms
ISOPROPYL NITRATE1712-64-7Nitric acid, 1-methylethyl esterNitric acid, isopropyl esterIsopropylester kyseliny dusicneUPE48E4UJ4NSC-88934DTXSID5061908RefChem:149831DTXCID2035483216-983-6propan-2-yl nitrate
Show more names
(CH3)2CHONO2propane-2-nitrate2-Nitrooxypropaneisopriopyl nitrate2-Propanol nitratePropan-2-ol nitrate1-methylethyl nitrate
IsopropylnitrateNITRIC ACID ISOPROPYL ESTERMFCD000070412-propyl nitrateEINECS 216-983-6NSC 88934UN1222Isopropylester kyseliny dusicne [Czech]
Database identifiers
- CAS
1712-64-7- PubChem CID
- 15575
- DTXSID
DTXSID5061908- ChEMBL
CHEMBL401410- UNII
- UPE48E4UJ4
- EC Number
- 216-983-6
- Nikkaji
- J572J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
Density1.036 @25 °C
Boiling Point102 °C @760 [mm Hg]
Vapor Pressure34.1 [mmHg]
Physical Description
Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. 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.
Clear colorless liquid with a pleasant odor; [CAMEO]
Physicochemical properties
- Melting point
- -99.99 °C · -99.99°C
- Boiling point
- 101 · 101-102 °C(lit.)
- Density
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nitric acid, 1-methylethyl ester
Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24787
Isopropyl nitrate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryA strong oxidizing agent; [CAMEO] May cause irritation; May induce methemoglobinemia; Targets the blood, nerves, and smooth muscle; [Sigma-Aldrich MSDS] See Amyl nitrate.
DOT ID and Guide1222 130
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNitric acid, 1-methylethyl ester: ACTIVE
Applications
UsesIsopropyl nitrate is used as a diesel cetane improver.
UsesIsopropyl 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 DescriptionA 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.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
35 records
Compound notes
Loading…