Basic information
- CAS
651735-60-3- Standard SMILES
O=C1CCCc2cccc(Br)c21- InChIKey
DIYWCGZFCFYCIE-UHFFFAOYSA-N- Molecular formula
- C10H9BrO
- Average molar mass
- 225.08 g/mol
- Monoisotopic mass
- 223.98367701
Names & identifiers
- Preferred name
- 8-bromo-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 8-bromo-3,4-dihydro-2H-naphthalen-1-one
- English name
- 8-Bromo-3,4-dihydro-2H-naphthalen-1-one
- Molecular formula
- C10H9BrO
- Molecular weight
- 225.08
Names & synonyms
651735-60-38-bromo-3,4-dihydro-2H-naphthalen-1-oneDTXSID70463027RefChem:311824DTXCID304138468-bromo-3,4-dihydronaphthalen-1(2h)-one8-bromo-1,2,3,4-tetrahydronaphthalen-1-one8-bromo-1-tetralone1(2H)-Naphthalenone, 8-bromo-3,4-dihydro-MFCD06796575SCHEMBL5238902SB38135
Show more names
8-Bromo-α-Tetralone3-(3,4-dimethylphenyl)pyrrolidine8-Bromo-3,4-dihydro-2H-phthalen-1-one8-bromo-3,4-dihydro-1H-naphthalen-1-one8-bromo-1,2,3,4-tetrahydronaphthalen-1-one - [B24732]
AS-37113SY258037CS-0049965EN300-10727808-Bromotetralin-1-one8-bromotetralone8-bromo-3,4-dihydrona8-Bromotetralone, 97%
Database identifiers
- CAS
651735-60-3- PubChem CID
- 11345129
- DTXSID
DTXSID70463027- EC Number
- 676-029-3
- Nikkaji
- J1.989.926H
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
- Boiling point
- 325.7 · 325.7±31.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C10H9BrO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2
- InChIKey
- DIYWCGZFCFYCIE-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2Br)CCC1
- CAS DataBase Reference
- 651735 · 651735-60-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
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)
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%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses8-Bromo-1-tetralone is a useful halogenated organic reagent in various syntheses.
Upstream & downstream products
Upstream raw materials
Suppliers75 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
5 records
Compound notes
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