3-Chloro-4'-methoxypropiophenone

HCID 233255

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35999-20-3
Standard SMILES: COc1ccc(C(=O)CCCl)cc1
InChIKey: FJBUZSAECLLZOL-UHFFFAOYSA-N
Molecular formula: C10H11ClO2
Average molar mass: 198.64 g/mol
Monoisotopic mass: 198.04475727

Names & identifiers

Preferred name: 3-Chloro-4'-methoxypropiophenone
IUPAC: 3-chloro-1-(4-methoxyphenyl)propan-1-one
English name: 3-Chloro-1-(4-methoxyphenyl)propan-1-one
Molecular formula: C10H11ClO2
Molecular weight: 198.65

Names & synonyms

3-CHLORO-4'-METHOXYPROPIOPHENONERefChem:499846806-929-535999-20-33-chloro-1-(4-methoxyphenyl)propan-1-one3-chloro-1-(4-methoxyphenyl)-1-propanone1-Propanone, 3-chloro-1-(4-methoxyphenyl)-MFCD002366023-chloro-4'-methoxyphenylpropanoneNSC36076SCHEMBL2336836ss-Chloro-4-methoxypropiophenone

Show more names

3-Chloro-1-(4-methox-Chloro-4-methoxypropiophenoneB-CHLORO-4-METHOXYPROPIOPHENONE2-CHLORO-4'-METHOXYPROPIOPHENONE4'-Methoxy-3-chloropropiophenone3-CHLORO-4'-METHOXY PROPIOPHENONE3'-CHLORO-4-METHOXY PROPIOPHENONEBETA-CHLORO-4-METHOXYPROPIOPHENONE

|?-Chloro-4-methoxypropiophenone3'-Chloro-4-methoxypropiophenoneDTXSID40283451FJBUZSAECLLZOL-UHFFFAOYSA-NNSC316202-chloroethyl 4-methoxyphenyl KetoneCL8655NSC-31620

Database identifiers

CAS: 35999-20-3
PubChem CID: 233255
DTXSID: DTXSID40283451
EC Number: 806-929-5
Nikkaji: J964.384B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 61 to · 61.0 to 65.0 °C
Boiling point: 330.036 · 330.036±22.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.149 · 1.149±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Off-White to Light Beige
CAS DataBase Reference: 35999 · 35999-20-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313