1-(2,6-Difluorophenyl)ethan-1-one

HCID 83643CAS 13670-99-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1c(F)cccc1F
InChIKey
VGIIILXIQLXVLC-UHFFFAOYSA-N
Molecular formula
C8H6F2O
Average molar mass
156.13 g/mol
Monoisotopic mass
156.03867113

Names & identifiers

Preferred name
1-(2,6-Difluorophenyl)ethan-1-one
IUPAC
1-(2,6-difluorophenyl)ethanone
English name
1-(2,6-Difluorophenyl)ethan-1-one
Molecular formula
C8H6F2O
Molecular weight
156.13

Names & synonyms

13670-99-01-(2,6-Difluorophenyl)ethanone1-(2,6-Difluorophenyl)ethan-1-oneEINECS 237-151-9DTXSID10159891RefChem:420669DTXCID3082382237-151-92',6'-Difluoroacetophenone2,6-DifluoroacetophenoneEthanone, 1-(2,6-difluorophenyl)-MFCD00000328
Show more names
TIMTEC-BB SBB0066862',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98%2',6'-Difluoroacetophenone 98%Benzamide,4-(1,4-dimethylethyl)-
Acetophenone, 2',6'-difluoro-1-acetyl-2,6-difluorobenzene2`,6`-Difluoroacetophenone2',6'-difluoro acetophenoneSCHEMBL167447SCHEMBL20956592',6'-Difluoroacetophenone, 97%1-(2,6-Difluoro-phenyl)-ethanone

Database identifiers

CAS
13670-99-0
PubChem CID
83643
DTXSID
DTXSID10159891
EC Number
237-151-9
Nikkaji
J149.979C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
52 · 52-55°C
Boiling point
76 · 76-79 °C15 mm Hg(lit.)
Density
1.197 g/mL · 1.197 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.48(lit.)
Flash point
170 °F · 170 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29147000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2,6-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

General Description2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

Upstream & downstream products

Suppliers50 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

47 records
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Linked notes

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