CAS 51336-94-8 2-Chloro-1-(2,4-difluorophenyl)ethanone (HCID 588083)

Names & identifiers

Preferred name: 2-Chloro-1-(2,4-difluorophenyl)ethanone
IUPAC: 2-chloro-1-(2,4-difluorophenyl)ethanone
English name: 2-Chloro-2',4'-difluoroacetophenone
Molecular formula: C8H5ClF2O
Molecular weight: 190.57

Names & synonyms

51336-94-82-Chloro-1-(2,4-difluorophenyl)ethanoneUENGBOCGGKLVJJ-UHFFFAOYSA-RefChem:468296620-343-5InChI=1/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H22-Chloro-2',4'-difluoroacetophenone2,4-Difluorophenacyl Chloride2-Chloro-1-(2,4-Difluorophenyl)Ethan-1-OneMFCD00013252Voriconazole Impurity N1-(2,4-difluorophenyl)-2-chloroethan-1-one

Show more names

2,4-difluorophenacyl chloride ,2-chloro-1-(2,4-difluorophenyl)ethanone2-Chloro-2Voriconazole RC1TIMTEC-BB SBB006665Voriconazole Impurity 62,4-Difluorophenacylchloride98%2,4-Difluorophenacyl chloride 98%2'-Chloro 2,4-fluoro acetophenone

Ethanone, 2-chloro-1-(2,4-difluorophenyl)-CHEMBL105349ALPHA-CHLORO-2,4-DIFLUOROACETOPHENONEChloromethyl 2,4-difluorophenyl ketone2-Chloro-2\',4\'-difluoroacetophenone2-Chloro-1-(2,4-difluoro-phenyl)-ethanone2-Chloro-2,4-difluoroacetophenone2',4'-DIFLUORO-2-CHLOROACETOPHENONE

Database identifiers

CAS: 51336-94-8
PubChem CID: 588083
DTXSID: DTXSID40343185
ChEMBL: CHEMBL105349
UNII: R3G2FBJ2J6
EC Number: 620-343-5
Nikkaji: J267.331B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 44 · 44-48 °C(lit.)
Boiling point: 240.9 · 240.9±25.0 °C(Predicted)
Density: 1.3544 · 1.3544 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform (Slightly)
form: Solid
color: Light Brown
Sensitive: Lachrymatory
BRN: 1943217 · 1943217
InChI: InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey: UENGBOCGGKLVJJ-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C=C1F)CCl
CAS DataBase Reference: 51336 · 51336-94-8(CAS DataBase Reference)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H314-H317-H330-H410
Precautionary statements: 260 · P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45-25-27
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
Hazard Note: Corrosive/Irritant/Lachrymatory
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29147000 · 29147000
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 3 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
REACH Registrations: Inactive
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/18226

Hazard Classes and CategoriesSkin Corr. 1B (98%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29147000
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS09
hazard_code: C,Xi
hazard_note: Corrosive/Irritant/Lachrymatory
safety_code: 26-36/37/39-45-25-27
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H301-H314-H317-H330-H410
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
Precautionary statements: P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 3 items

Description2-Chloro-2′,4′-difluoroacetophenone was used in the synthesis of allyl alcohol1. It can also be tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B2.

Uses2-Chloro-2′,4′-difluoroacetophenone was used in the synthesis of allyl alcohol.

UsesA α-haloacetophenone derivatives tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B.