Basic information
- CAS
22535-03-1- Standard SMILES
O=C(Br)Cc1ccccc1- InChIKey
IAKFGFQVHBKCAS-UHFFFAOYSA-N- Molecular formula
- C8H7BrO
- Average molar mass
- 199.04 g/mol
- Monoisotopic mass
- 197.96803
Names & identifiers
- Preferred name
- Benzeneacetyl bromide
- IUPAC
- 2-phenylacetyl bromide
- English name
- phenylacetyl bromide
- Molecular formula
- C8H7BrO
- Molecular weight
- 199.04
Names & synonyms
Phenylacetyl bromide22535-03-1DTXSID30177052Benzeneacetyl bromideRefChem:1078363DTXCID3099543245-060-02-phenylacetyl bromidephenacetyl bromidephenylacetylbromideEINECS 245-060-0SCHEMBL2186535
Show more names
Benzeneacetic acid bromide
SBB092409AKOS006272488NS00050198
Database identifiers
- CAS
22535-03-1- PubChem CID
- 89742
- DTXSID
DTXSID30177052- EC Number
- 245-060-0
- Nikkaji
- J286.236K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 75 · 75-78 °C(Press: 4 Torr)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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