8-Bromo-1,2,3,4-tetrahydronaphthalen-2-one

HCID 4136187

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Basic information

CAS: 117294-21-0
Standard SMILES: O=C1CCc2cccc(Br)c2C1
InChIKey: RWEVGLMABSFMKW-UHFFFAOYSA-N
Molecular formula: C10H9BrO
Average molar mass: 225.08 g/mol
Monoisotopic mass: 223.98368

Names & identifiers

Preferred name: 8-Bromo-1,2,3,4-tetrahydronaphthalen-2-one
IUPAC: 8-bromo-3,4-dihydro-1H-naphthalen-2-one
English name: 8-Bromo-2-tetralone
Molecular formula: C10H9BrO
Molecular weight: 225.08

Names & synonyms

8-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONERefChem:547670853-258-9117294-21-08-BROMO-2-TETRALONE8-bromo-3,4-dihydronaphthalen-2(1H)-one8-bromo-3,4-dihydro-1H-naphthalen-2-one8-bromotetralin-2-one2(1H)-Naphthalenone, 8-bromo-3,4-dihydro-MFCD030933908-bromo-3,4-dihydro-2(1h)-naphthalenone8B2T

Show more names

8-Bromo-3,4-dihydro-1H-phthalen-2-one

8-broMo-38-Bromo-1,2,3,4-tetrahydro-2-oxonaphthaleneSCHEMBL1868979DTXSID00399749RWEVGLMABSFMKW-UHFFFAOYSA-NCS-B0106AKOS015835922AB13241

Database identifiers

CAS: 117294-21-0
PubChem CID: 4136187
DTXSID: DTXSID00399749
EC Number: 853-258-9

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Physicochemical properties

Boiling point: 331 · 331.0±42.0 °C(Predicted)
Density: 1.511 · 1.511±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesAs a tetrahydronaphthone compound, 8-bromo-3,4-dihydro-1H-2-naphthone is an important intermediate in the synthesis of selective 5-HT6 receptor antagonists, which have the potential to treat central nervous system disorders such as Parkinson's disease.