4'-Chloropropiophenone

HCID 22697CAS 6285-05-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=O)c1ccc(Cl)cc1
InChIKey
ADCYRBXQAJXJTD-UHFFFAOYSA-N
Molecular formula
C9H9ClO
Average molar mass
168.62 g/mol
Monoisotopic mass
168.03419259

Names & identifiers

Preferred name
4'-Chloropropiophenone
IUPAC
1-(4-chlorophenyl)propan-1-one
English name
4'-Chloropropiophenone
Molecular formula
C9H9ClO
Molecular weight
168.62

Names & synonyms

4'-Chloropropiophenonep-Chloropropiophenone4-Chloropropiophenone1-Propanone, 1-(4-chlorophenyl)-PROPIOPHENONE, 4'-CHLORO-Ethyl p-chlorophenyl ketonePropiophenone, p-chloro-Ethyl 4-chlorophenyl ketoneUSAF EK-52961-(4-Chlorophenyl)-1-propanoneDTXSID1048203NSC 5600
Show more names
1-(4-CHLOROPHENYL)PROPAN-2-ONEchloropropiophenone1-(4-CHLORO-PHENYL)-PROPAN-1-ONEusafek-5296AKOS B0285674-chlorophenone4 '-chloroacetoneART-CHEM-BB B028567
26AY8WJA1E1-(4-chlorophenyl)propane-1-oneNSC-5600EINECS 228-511-6UNII-26AY8WJA1EBRN 1100638AI3-23870DTXCID9028178

Database identifiers

CAS
6285-05-8
PubChem CID
22697
DTXSID
DTXSID1048203
ChEMBL
CHEMBL2251218
UNII
26AY8WJA1E
EC Number
228-511-6
Nikkaji
J34.493A

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
35 · 35-37 °C(lit.)
Boiling point
95 · 95-97 °C1 mm Hg(lit.)
Density
1.151 · 1.151
refractive index
1.5325 · 1.5325-1.5345
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34022

1-Propanone, 1-(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
UG9275000
hs_code
29147000
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanone, 1-(4-chlorophenyl)-: INACTIVE

Applications

Uses4'-Chloropropiophenone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

41 records
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Linked notes

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