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Chemical substance record

Nickel subsulfide

12035-72-2Ni3S2240.213 g/mol

A nickel coordination entity with formula Ni3S2. Used in the manufacture of lithium batteries. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

R03-B-011-METI, MOE · 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 number12035-72-2ChEBI ↗
Molecular formulaNi3S2ChEBI ↗
Molar mass240.213 g/molChEBI ↗
Monoisotopic mass237.75017 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:144804ChEBI ↗

Names & structural identifiers

Copy any identifier
nickel subsulfide
YGHCWPXPAHSSNA-UHFFFAOYSA-N
[Ni]=[S]=[Ni]=[S]=[Ni]
InChI=1S/3Ni.2S

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

carcinogenic agent

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 · FY2021 source classification
Nickel sulfide (synonym: Trinickel disulfide) · R03-B-011-METI, MOE
EndpointReported classification
Acute toxicity (Inhalation: Dusts and mists)Category 3
Respiratory sensitizationCategory 1A
Skin sensitizationCategory 1A
Germ cell mutagenicityCategory 2
CarcinogenicityCategory 1A
Reproductive toxicityCategory 2

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
0.00416297 mol

Uses 240.213 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
Ni
Nickel · 3 atoms
73.30%
S
Sulfur · 2 atoms
26.70%

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:144804

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.