4-Chlorobenzalacetone

HCID 98183
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Basic information

CAS
3160-40-5
Standard SMILES
CC(=O)C=Cc1ccc(Cl)cc1
InChIKey
UUKRKWJGNHNTRG-UHFFFAOYSA-N
Molecular formula
C10H9ClO
Average molar mass
180.63 g/mol

Names & identifiers

Preferred name
4-Chlorobenzalacetone
IUPAC
4-(4-chlorophenyl)but-3-en-2-one
English name
4-Chlorobenzylideneacetone
Molecular formula
C10H9ClO
Molecular weight
180.63

Names & synonyms

4-Chlorobenzalacetone3-Buten-2-one, 4-(4-chlorophenyl)-SCHEMBL432226NCIOpen2_001072UUKRKWJGNHNTRG-UHFFFAOYSA-N4-(4-Chlorophenyl)-3-butene-2-oneDB-048078NS00045607F870486(E)-4-(4-CHLOROPHENYL)BUT-3-EN-2-ONEp-Chlorobenzalacetone4-(4-CHLOROPHENYL)BUT-3-EN-2-ONE
Show more names
4-Chlorobenzylideneacetone4-Chlorostyrylmethyl ketone(P-CHLOROBENZYLIDENE)ACETONEMethyl 4-chlorostyryl ketone1-(4-Chlorophenyl)buten-3-one4-Chlorobenzylideneacetone,98%

Database identifiers

CAS
3160-40-5
PubChem CID
98183

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
58 · 58-62 °C (lit.)
Boiling point
145 · 145-147°C 5mm
Density
1.157 · 1.157±0.06 g/cm3(Predicted)
Flash point
145 · 145-147°C/5mm
storage temp.
Store at room temperature
form
solid

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Suppliers48 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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