CAS 3946-29-0 3,4'-Dichloropropiophenone (HCID 77550)

Names & identifiers

Preferred name: 3,4'-Dichloropropiophenone
IUPAC: 3-chloro-1-(4-chlorophenyl)propan-1-one
English name: 3,4'-Dichloropropiophenone
Molecular formula: C9H8Cl2O
Molecular weight: 203.07

Names & synonyms

3,4'-Dichloropropiophenone3946-29-01-Propanone, 3-chloro-1-(4-chlorophenyl)-R2CZE36L2E3-chloro-4'-chloropropiophenone3-Chloro-1-(4-chlorophenyl)-1-propanone2-(4-chlorobenzoyl)ethyl chlorideEINECS 223-537-4NSC-36074DTXSID70192608NSC 36074.BETA.,P-DICHLOROPROPIOPHENONE

Show more names

3-CHLORO-1-(4-CHLOROPHENYL)PROPAN-1-ONECHEMPACIFIC 423523,4'-Dichloropropiop3',4-DICHLOROPROPIOPHENONE3，4’-Dichloropropiophenone3,4'-DICHLOROPROPIONPHENONEbeta-p-Dichloropropiophenone4-Dichloropropiophenone, 96%3,4-Dichloropropiophenone95%

P,.BETA.-DICHLOROPROPIOPHENONEPROPIOPHENONE, 3,4'-DICHLORO-.BETA.-CHLORO-P-CHLOROPROPIOPHENONE2-CHLOROETHYL 4-CHLOROPHENYL KETONE2-CHLOROETHYL P-CHLOROPHENYL KETONEP-CHLORO-.BETA.-CHLOROPROPIOPHENONERefChem:90847DTXCID70115099

Database identifiers

CAS: 3946-29-0
PubChem CID: 77550
DTXSID: DTXSID70192608
UNII: R2CZE36L2E
EC Number: 223-537-4
Nikkaji: J31.124C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 48 · 48-51 °C(lit.)
Boiling point: 135 · 135-137 °C0.6 mm Hg(lit.)
Density: 1.2568 · 1.2568 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
Flash point: 178 °F · 178 °F
storage temp.: Refrigerator
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
color: White to Pale Yellow
BRN: 1866915 · 1866915
CAS DataBase Reference: 3946 · 3946-29-0(CAS DataBase Reference)
FDA UNII: 2 CZE36L2E · R2CZE36L2E
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H315-H319-H335
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P261-P280a-P304+P340-P305+P351+P338-P501a
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37-36/37/38
Safety Statements: 23 · 23-26-27-36/37/39-45-37/39
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2914790090 · 2914790090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (89.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (89.1%)

Safety data

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2914790090
risk_code: 34-36/37-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
safety_code: 23-26-27-36/37/39-45-37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P261-P280a-P304+P340-P305+P351+P338-P501a

Chemistry & industry

Applications · 1 item

Uses3’,4’-Dichloropropiophenone is used as a reagent in the preparation of antidepressant aryl-alkyl-piperidine derivatives. Also used in the synthesis of mGlu5 receptor negative allosteric modulators. Also in the genetic screening of compounds countering the growth of methylthioadenosine phosphorylase involved in cancer spread.