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Chemical substance record

Nitromethane

75-52-5CH3NO261.04 g/mol

A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 °C), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

Nitromethane

Read official guide
JP · NITE

Government GHS classification

H29-B-053 · FY2017

View classification

Find a product-specific SDS

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number75-52-5ChEBI ↗
Molecular formulaCH3NO2ChEBI ↗
Molar mass61.04 g/molChEBI ↗
Monoisotopic mass61.01638 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:77701ChEBI ↗

Names & structural identifiers

Copy any identifier
nitromethane
nitromethane
LYGJENNIWJXYER-UHFFFAOYSA-N
C[N+](=O)[O-]
InChI=1S/CH3NO2/c1-2(3)4/h1H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

NMR chemical shift reference compoundpolar aprotic solventexplosiveEC 4.3.1.3 (histidine ammonia-lyase) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Safety classification · Japan

NITE / Japanese government
Japan · FY2017 source classification
Nitromethane · H29-B-053
EndpointReported classification
Flammable liquidsCategory 3
Self-reactive substances and mixturesType G
Acute toxicity (Oral)Category 4
Serious eye damage/eye irritationCategory 2
CarcinogenicityCategory 2
Specific target organ toxicity - Single exposureCategory 1 (liver), Category 2 (central nervous system), Category 3 (respiratory tract irritation, narcotic effects)

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0163827 mol

Uses 61.04 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
O
Oxygen · 2 atoms
52.42%
N
Nitrogen · 1 atom
22.95%
C
Carbon · 1 atom
19.68%
H
Hydrogen · 3 atoms
4.95%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Nitromethane. ↗IARC monographs on the evaluation of carcinogenic risks to humans · 2000 · PMID 11100413
Nitromethane. ↗Report on carcinogens : carcinogen profiles · 2011 · PMID 21860501

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:77701

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.