CAS 6342-64-9 1-(5-Chloro-2-methoxyphenyl)ethanone (HCID 240434)

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Basic information

CAS: 6342-64-9
Standard SMILES: COc1ccc(Cl)cc1C(C)=O
InChIKey: QPIUQLBBCQTWMJ-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: 1-(5-Chloro-2-methoxyphenyl)ethanone
IUPAC: 1-(5-chloro-2-methoxyphenyl)ethanone
English name: 5-Chloro-2-methoxyacetophenone
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-91-(5-chloro-2-methoxyphenyl)ethan-1-oneDTXSID50286594RefChem:426386DTXCID90237742673-608-25-Chloro-2-methoxyacetophenoneMFCD00174339NSC46629SCHEMBL3647641-acetyl-5-chloro-2-methoxybenzene

Show more names

ASISCHEM D387695-CHLORO -2- METHOXY ACETOPHENONES1-(5-Chloro-2-methoxyphenyl)ethan-1-one - [C93533]JR-8525, 1-(5-Chloro-2-methoxyphenyl)ethanone, 97%

5'-Chloro-2'-methoxyacetophenoneQPIUQLBBCQTWMEthanone, 1-(5-chloro-2-methoxyphenyl)-QPIUQLBBCQTWMJ-UHFFFAOYSA-NNSC 46629NSC-46629SBB015037STK661647

Database identifiers

CAS: 6342-64-9
PubChem CID: 240434
DTXSID: DTXSID50286594
EC Number: 673-608-2
Nikkaji: J1.871.573B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 29 · 29-30 °C
Boiling point: 115 · 115-120°C/5mm
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 6342 · 6342-64-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H302
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2914790090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H302
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Preparation methods

PreparationObtained by reaction of methylmagnesium bromide with 5-chloro-2-methoxybenzoyl chloride in the presence of bis[2-(N,N-dimethylamino)ethyl] ether in THF at –5° to 0° (69%).