6-Bromo-1-tetralone
Basic information
- CAS
66361-67-9- 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 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Applications
Uses6-bromo-1-tetralone used in Wittig-Horner reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
34 records
Compound notes
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