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Chemical substance record

Aniline

62-53-3C6H7N93.129 g/mol

A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

Aniline (and homologs)

Read official guide
JP · NITE

Government GHS classification

R03-C-010-MHLW · FY2021

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 number62-53-3ChEBI ↗
Molecular formulaC6H7NChEBI ↗
Molar mass93.129 g/molChEBI ↗
Monoisotopic mass93.05785 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:17296ChEBI ↗

Cross-source molecular data

PubChem
Molar mass93.13 g/molPubChem ↗
Exact mass93.057849228 DaPubChem ↗
Computed XLogP0.9PubChem ↗
Topological polar surface area (Ų)26PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds0PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
aniline
aniline
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Nc1ccccc1
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

Classification & relationships

ChEBI ontology

Safety classification · Japan

NITE / Japanese government
Japan · FY2021 source classification
Aniline · R03-C-010-MHLW
EndpointReported classification
CarcinogenicityCategory 1B

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
0.0107378 mol

Uses 93.129 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 6 atoms
77.38%
N
Nitrogen · 1 atom
15.04%
H
Hydrogen · 7 atoms
7.58%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:17296

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

NCBI PubChem · CID 6115 · retrieved 2026-09-27

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.