Basic information
- CAS
598-58-3- Standard SMILES
CO[N+](=O)[O-]- InChIKey
LRMHVVPPGGOAJQ-UHFFFAOYSA-N- Molecular formula
- C.H3.N.O3
- Average molar mass
- 77.04 g/mol
- Monoisotopic mass
- 77.01129296
Overview
C-H3-N-O3
Names & identifiers
- Preferred name
- Methyl nitrate
- IUPAC
- methyl nitrate
- English name
- methyl nitrate
- Molecular formula
- CH3NO3
- Molecular weight
- 77.04
Names & synonyms
METHYL NITRATEnitric acid methyl ester598-58-3Nitric acid, methyl esterMethylester kyseliny dusicneLAD9RT85ESDTXSID4073205RefChem:157962DTXCID4042705209-941-3Methyl nitrate [Forbidden]EINECS 209-941-3
Show more names
NitrooxymethaneNitric acid methylNitric acid, Methylester (8CI,9CI)
Methylester kyseliny dusicne [Czech]UNII-LAD9RT85ESBRN 1699872CH3ONO2METHYL NITRATE [MI]SCHEMBL268384-01-00-01254 (Beilstein Handbook Reference)SCHEMBL4246311
Database identifiers
- CAS
598-58-3- PubChem CID
- 11724
- DTXSID
DTXSID4073205- UNII
- LAD9RT85ES
- EC Number
- 209-941-3
- Nikkaji
- J2.721I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 36.6
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrates and Nitrites
SpringerMaterials PropertiesSchoenflies notation
Density1.208 @ 20°C
Melting Point-83 °C
Vapor Pressure180.0 [mmHg]
Physical DescriptionColorless liquid; [Hawley]
Physicochemical properties
- Melting point
- -82.29 °C · -82.29°C
- Boiling point
- 760 · bp760 64.6° (explodes)
- Density
- 420 · d420 1.2075
- refractive index
- 20 · nD20 1.3748
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Stability
- Incompatible with strong oxidizing agents.
Safety & regulation
Hazard information
Hazards SummarySevere explosion hazard when heated or shocked; May have narcotic effects; A strong tissue irritant; [Hawley] See NITRATES and NITRITES.
DOT Hazard Classification
Methyl nitrate
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Safety & protection
Protective Action Criteria (PAC)
0.85 [ppm]
9.4 [ppm]
56 [ppm]
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 1,275 ppm/4h
Safety data
- ridadr
- 0473
- hazard_class
- 1.1A
Chemistry & industry
Uses & manufacturing
UsesUsed as a rocket propellant; [Merck Index]
Household ProductsInformation on 4 consumer products that contain Methyl nitrate in the following categories is provided:
Applications
UsesMethyl nitrate has been used as rocket propellant.
Upstream & downstream products
Downstream products
Suppliers3 total
池州凯隆进出口贸易有限公司[email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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