CAS 364-83-0 2,4-Difluoroacetophenone (HCID 67770)

Names & identifiers

Preferred name: 2,4-Difluoroacetophenone
IUPAC: 1-(2,4-difluorophenyl)ethanone
English name: 2',4'-Difluoroacetophenone
Molecular formula: C8H6F2O
Molecular weight: 156.13

Names & synonyms

2',4'-Difluoroacetophenone1-(2,4-Difluorophenyl)ethanone2,4-Difluoroacetophenone1-(2,4-Difluorophenyl)ethan-1-oneEthanone, 1-(2,4-difluorophenyl)-K5ST9WKR7XAcetophenone, 2',4'-difluoro-DTXSID3059894RefChem:197373DTXCID2039170QEWHNJPLPZOEKU-UHFFFAOYSA-N364-83-0

Show more names

2,4-Difluoroacet2',4'-DifluoroacetopDilfuoroacetophenone2,4-Difluoroacetophenone,98%2',4'-Difluoroacetophenone>

MFCD00151261Posaconazole Impurity 611-acetyl-2,4-difluorobenzene2 inverted exclamation marka,4 inverted exclamation marka-DifluoroacetophenonePosaconazole Impurity 114EINECS 206-667-62,4-difluoracetophenoneUNII-K5ST9WKR7X

Database identifiers

CAS: 364-83-0
PubChem CID: 67770
DTXSID: DTXSID3059894
UNII: K5ST9WKR7X
EC Number: 206-667-6
Nikkaji: J150.072D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Boiling point: 80 · 80-81 °C25 mm Hg(lit.)
Density: 1.234 g/mL · 1.234 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.488(lit.)
Flash point: 152 °F · 152 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.234 · 1.234
color: Clear colorless to yellow
Water Solubility: INSOLUBLE
BRN: 1940741 · 1940741
InChI: InChI=1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey: QEWHNJPLPZOEKU-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C=C1F)C
CAS DataBase Reference: 364 · 364-83-0(CAS DataBase Reference)
FDA UNII: 5 ST9WKR7X · K5ST9WKR7X
NIST Chemistry Reference: 1 · Ethanone, 1-(2,4-difluorophenyl)-(364-83-0)
EPA Substance Registry System: 1 · Ethanone, 1-(2,4-difluorophenyl)- (364-83-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29147090 · 29147090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 47 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 Irrit. 2 (100%)

Safety data

F: 8
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29147090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(2,4-difluorophenyl)-: INACTIVE

Applications · 3 items

Uses2'',4''-Difluoroacetophenone

Uses2′,4′-Difluoroacetophenone has been used as starting reagent in the synthesis of difluorinated chalcones.

General DescriptionVibrational spectral analysis of 2′,4′-difluoroacetophenone has been carried out by FT-IR and FT-Raman spectroscopy.

Upstream & downstream products

Upstream raw materials

Downstream products

4'-Fluoro-2'-hydroxyacetophenone 2-Bromo-2',4'-difluoroacetophenone Benzenepropanal, 2,4-difluoro-β-oxo-(2E)-4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid 4-(2,4-Difluorophenyl)-2(3H)-thiazolone hydrazone 2,4-Difluorobenzoic acid

Suppliers100 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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

45 records

New reaction record

HRID 192952As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 225400As reactantuspto-grants-2009_07

HRID 260941As reactantuspto-grants-1996_06

HRID 286107As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316676As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 343140As reactantuspto-grants-1999_01

HRID 491567As reactantuspto-grants-2009_05

HRID 501502As reactantuspto-grants-2010_08

Compound notes

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Basic information