Chemical identity

(1R,2R)-1,2-bis(chloromethyl)cyclohexane

CAS 1416975-23-9 · C8H14Cl2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-19342
PubChem CID54577627
Name(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CAS RN1416975-23-9
Molecular formulaC8H14Cl2
Molecular weight181.11 g/mol
IUPAC name(1R,2R)-1,2-bis(chloromethyl)cyclohexane
InChIKeyWJVHONKNAYUVGV-YUMQZZPRSA-N

02Structure identifiers

2D structurePubChem CID 54577627
Two-dimensional chemical structure of (1R,2R)-1,2-bis(chloromethyl)cyclohexane, CAS 1416975-23-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1CC[C@H]([C@@H](C1)CCl)CCl
InChINot listed
Formula from structureC8H14Cl2
Molecular weight from structure181.11 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1416975-23-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1416975-23-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Lurasidone

View API and impurity family

Other names

  • Lurasidone Impurity 14
  • (1R,2R)-1,2-bis(chloromethyl)cyclohexane
  • trans-1,2-Bis(chloromethyl)cyclohexane
  • 61169-66-2
  • Lurasidone Impurity 110
  • (1R,2R)-rel-1,2-Bis(chloromethyl)cyclohexane
  • SCHEMBL2634104
  • DTXSID20712315
  • DB-309428
  • rel-(1R,2R)-1,2-Bis(chloromethyl)cyclohexane
  • 1416975-23-9

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources