Chromium(III) Chloride Hexahydrate

CHEBI:53442 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:53442
Ontology label
chromium(3+) trichloride hexahydrate

Chemical properties

Cas rn
10025-73-7
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:34:31.158938+00:00
Molecular formula
3Cl.Cr.6H2O
Inchi
InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3
Smiles
[Cl-].[Cl-].[Cl-].[Cr+3]

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80metals.

DATABASE_MATCH via MIM curation (#321)

molecular_formula '3Cl.Cr' -> '3Cl.Cr.6H2O'. The recorded value described the anhydrous salt while the label names a hydrate, understating the mass by 18 g/mol per water. Corrected because the label states 6 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:53351's ChEBI formula ('3Cl.Cr') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.

DATABASE_MATCH via MIM curation (#374/#334)

Promoted from CHEBI:53351 ('chromium(3+) trichloride') to the specific hydrate term CHEBI:53442 ('chromium(3+) trichloride hexahydrate') — MAPPING_SEMANTICS §3 step 1: the label names a hydrate, ChEBI has the term, so nothing needs minting and no closeMatch question arises. The previous term carried no water while the label states it. Found by cross-checking CultureBotAI/CultureMech#272 (#374/#334).

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=10025-73-7; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80metals.
2026-05-01T07:35:32.783938+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.621439+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=3Cl.Cr; inchi=InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3; smiles=[Cl-].[Cl-].[Cl-].[Cr+3]
2026-05-02T03:12:13.363880+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-13T00:00:00+00:00 add_water_of_hydration ADDED_WATER_OF_HYDRATION molecular_formula '3Cl.Cr' -> '3Cl.Cr.6H2O' (#321); the label states 6 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:53351's ChEBI formula ('3Cl.Cr') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.
2026-08-15T00:00:00+00:00 fix_hydrate_terms_and_twins PROMOTED_TO_SPECIFIC_HYDRATE identifier/ontology_id CHEBI:53351 -> CHEBI:53442; Promoted from CHEBI:53351 ('chromium(3+) trichloride') to the specific hydrate term CHEBI:53442 ('chromium(3+) trichloride hexahydrate') — MAPPING_SEMANTICS §3 step 1: the label names a hydrate, ChEBI has the term, so nothing needs minting and no closeMatch question arises. The previous term carried no water while the label states it. Found by cross-checking CultureBotAI/CultureMech#272 (#374/#334).