2,2-Difluoroacetophenone

HCID 273286
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Basic information

CAS
395-01-7
Standard SMILES
O=C(c1ccccc1)C(F)F
InChIKey
OLYKCPDTXVZOQF-UHFFFAOYSA-N
Molecular formula
C8H6F2O
Average molar mass
156.13 g/mol
Monoisotopic mass
156.03867113

Names & identifiers

Preferred name
2,2-Difluoroacetophenone
IUPAC
2,2-difluoro-1-phenylethanone
English name
2,2-DIFLUOROACETOPHENONE
Molecular formula
C8H6F2O
Molecular weight
156.13

Names & synonyms

2,2-difluoroacetophenoneRefChem:441109641-292-5395-01-72,2-difluoro-1-phenylethanone2,2-difluoro-1-phenyl-ethanoneA,A-Difluoroacetophenonealpha,alpha-difluoroacetophenone2,2-difluoro-1-phenylethan-1-oneC8H6F2OMFCD06246879difluoromethyl phenyl ketone
Show more names
2,2-Difluoroacetophenone97%2,2-Difluoroacetophenone 97%2,2-Difluoroacetophenone,95%Ethanone, 2,2-difluoro-1-phenyl- (9CI)
2,2-bis(fluoranyl)-1-phenyl-ethanoneEthanone, 2,2-difluoro-1-phenyl-difluoroacetophenoneEthanone, 2NSC118411Acetophenone, 2,2-difluoroSCHEMBL1492635SCHEMBL28904758

Database identifiers

CAS
395-01-7
PubChem CID
273286
DTXSID
DTXSID80960133
EC Number
641-292-5
Nikkaji
J753.861H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
48 · 48-50°C
Boiling point
53 · 53-54°C/12mm
Density
1.18 · 1.180±0.06 g/mL
refractive index
1.4955 · 1.4955
Flash point
53 · 53-54°C/12mm
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (86.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (86.7%)

Safety data

wgk
3
hs_code
2914790090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 1 item

Uses2,2-Difluoroacetophenone acts as an intermediate in the preparation of various substances such as pharmaceuticals. Further, it is used in the one-pot synthesis of difluoromethylated arenes from aryl chlorides and bromides. In addition to this, it undergoes reduction with (-)-diisopinocampheylchloroborane chloride to get R-alcohols of purity 85% ee.

Suppliers44 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Aladdin Scientific[email protected]

Related reactions

1 records
New reaction record

Compound notes

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