1-Butanone, 1-(4-bromophenyl)-

HCID 78680
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Basic information

CAS
4981-64-0
Standard SMILES
CCCC(=O)c1ccc(Br)cc1
InChIKey
HOIDKJFWEVIJAT-UHFFFAOYSA-N
Molecular formula
C10H11BrO
Average molar mass
227.1 g/mol
Monoisotopic mass
225.99932707

Names & identifiers

Preferred name
1-Butanone, 1-(4-bromophenyl)-
IUPAC
1-(4-bromophenyl)butan-1-one
English name
4'-Bromobutyrophenone
Molecular formula
C10H11BrO
Molecular weight
227.1

Names & synonyms

4'-Bromobutyrophenone1-Butanone, 1-(4-bromophenyl)-p-Bromobutyrophenone1-(4-Bromophenyl)-1-butanoneButyrophenone, 4'-bromo-EINECS 225-632-6NSC 76558DTXSID9063663RefChem:430910DTXCID1040748Butyrophenone, 4'-bromo-(8CI)225-632-6
Show more names
ST5207857AURORA 22533ZINC000652184-BROMOBUTYROPHENONEparabromophenylbutylone
1-(4-bromophenyl)butan-1-one4981-64-0MFCD00017845NSC-76558NSC76558EMU3AMT3NCSCHEMBL2116189SCHEMBL6975977

Database identifiers

CAS
4981-64-0
PubChem CID
78680
DTXSID
DTXSID9063663
UNII
EMU3AMT3NC
EC Number
225-632-6
Nikkaji
J203.220A

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
38 · 38-39 °C(Solv: ligroine (8032-32-4))
Boiling point
149 · 149-151 °C(Press: 13 Torr)
Density
1.334 · 1.334±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to off-white Solid
InChI
InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Butanone, 1-(4-bromophenyl)-: INACTIVE

Applications

Uses4'-Bromobutyrophenone is used in organic synthesis. It reacts with triphenylphosphine to form tetraphenylphosphonium bromide.

Upstream & downstream products

Downstream products

Suppliers79 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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