6-Bromo-1-tetralone

HCID 10105069CAS 66361-67-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCCc2cc(Br)ccc21
InChIKey: OSDHOOBPMBLALZ-UHFFFAOYSA-N
Molecular formula: C10H9BrO
Average molar mass: 225.08 g/mol
Monoisotopic mass: 223.98367701

Names & identifiers

Preferred name: 6-Bromo-1-tetralone
IUPAC: 6-bromo-3,4-dihydro-2H-naphthalen-1-one
English name: 6-Bromo-tetral-1-on
Molecular formula: C10H9BrO
Molecular weight: 225.08

Names & synonyms

6-Bromo-1-tetraloneRefChem:540585833-554-466361-67-96-bromo-3,4-dihydronaphthalen-1(2H)-one6-Bromotetral-1-one6-Bromo-tetral-1-on6-bromo-3,4-dihydro-2H-naphthalen-1-one6-bromotetralone6-bromotetralin-1-oneMFCD041143786-BROMO-3,4-DIHYDRO-1(2H)-NAPHTHALENONE

Show more names

6-BROMO-A-TETRALONE6-Bromo-1-tertralone6-BROMO-1-TETRALONE,96%

1(2H)-Naphthalenone, 6-bromo-3,4-dihydro-6-bromoteralone6-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE6-bromo-tetralone6-Bromo-tetral-1-oneAKOS005258975HY-W008321FS-2962

Database identifiers

CAS: 66361-67-9
PubChem CID: 10105069
DTXSID: DTXSID10435687
EC Number: 833-554-4

Properties

Computed structural properties

XLogP: 2.7
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

Melting point: 40 · 40-42℃
Boiling point: 116 °C/0.05mmHg · 116°C/0.05mmHg(lit.)
Density: 1.511 · 1.511±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: powder to lump
color: White to Orange to Green
Sensitive: Light Sensitive
InChI: InChI=1S/C10H9BrO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey: OSDHOOBPMBLALZ-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Br)C=C2)CCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2914790090 · 2914790090

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362