6-Bromo-2,2-dimethylcyclohexan-1-one

HCID 313129CAS 21690-26-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)CCCC(Br)C1=O
InChIKey
NQKPKIZHPZWYJJ-UHFFFAOYSA-N
Molecular formula
C8H13BrO
Average molar mass
205.09 g/mol
Monoisotopic mass
204.01497714

Names & identifiers

Preferred name
6-Bromo-2,2-dimethylcyclohexan-1-one
IUPAC
6-bromo-2,2-dimethylcyclohexan-1-one

Names & synonyms

6-bromo-2,2-dimethylcyclohexan-1-oneRefChem:540628872-303-321690-26-66-bromo-2,2-dimethyl-cyclohexanone6-bromo-2,2-dimethyl-cyclohexan-1-one2-bromo-6,6-dimethylcyclohexanoneNSC226244SCHEMBL3538561DTXSID403103776-Bromo-2,2-dimethylcyclohexanoneAKOS018393621
Show more names
NSC-226244DB-338223EN300-254459

Database identifiers

CAS
21690-26-6
PubChem CID
313129
DTXSID
DTXSID40310377
EC Number
872-303-3
Nikkaji
J760.380K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

2 records
New reaction record

Linked notes

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