Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone

HCID 197820CAS 5122-82-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CBr)C12CC3CC(CC(C3)C1)C2
InChIKey
KWCDIRFSULAMOC-UHFFFAOYSA-N
Molecular formula
C12H17BrO
Average molar mass
257.17 g/mol
Monoisotopic mass
256.04627726

Names & identifiers

Preferred name
Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
IUPAC
1-(1-adamantyl)-2-bromoethanone
English name
1-Adamantyl bromomethyl ketone
Molecular formula
C12H17BrO
Molecular weight
257.17

Names & synonyms

adamantyl bromomethyl ketoneBromomethyl tricyclo(3.3.1.13,7)dec-1-yl ketoneBromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketoneRefChem:570371225-860-61-Adamantyl bromomethyl ketone5122-82-71-(adamantan-1-yl)-2-bromoethanone1-(1-Adamantyl)-2-bromoethanone1-(Bromoacetyl)adamantaneBromomethyl 1-adamantyl ketoneMFCD00074740
Show more names
AKOS BC-0476AKOS BBS-00006527IFLAB-BB F1928-0001OTAVA-BB BB7020410089LABOTEST-BB LT00077095Bromomethyl adamantly ketonebromomethyl1-adamantylketoneketone,1-adamantylbromomethyl
1-(adamantan-1-yl)-2-bromoethan-1-oneBromomethyl adamantyl ketoneEINECS 225-860-61-(1-adamantyl)-2-bromo-ethanoneEthanone, 2-bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-Ethanone, 2-bromo-1-tricyclo[3.3.1.13,7]dec-1-yl-2-Bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethanoneethanone, 2-bromo-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-

Database identifiers

CAS
5122-82-7
PubChem CID
197820
DTXSID
DTXSID80199229
EC Number
225-860-6
Nikkaji
J203.317H

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
76 · 76-79 °C (lit.)
Boiling point
320.3 · 320.3±15.0 °C(Predicted)
Density
1.439 · 1.439±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
form
solid
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29142900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses1-Adamantyl bromomethyl ketone may be used in chemical synthesis studies.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]

Related reactions

26 records
New reaction record

Linked notes

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