4-Acetyl-2,2-difluoro-1,3-benzodioxole

HCID 10987257CAS 126120-83-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cccc2c1OC(F)(F)O2
InChIKey
FXQWZAIGWRETAQ-UHFFFAOYSA-N
Molecular formula
C9H6F2O3
Average molar mass
200.14 g/mol
Monoisotopic mass
200.02850049

Names & identifiers

Preferred name
4-Acetyl-2,2-difluoro-1,3-benzodioxole
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone
English name
4-Acetyl-2,2-difluoro-1,3-benzodioxole
Molecular formula
C9H6F2O3
Molecular weight
200.14

Names & synonyms

126120-83-04-Acetyl-2,2-difluoro-1,3-benzodioxole1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanoneMFCD08458053Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-oneSCHEMBL19023021-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-oneDTXSID60450860SBB092567AKOS022185293
Show more names
4-ACETYL-2,2-DIFLUORO-1,3-BENZODIOXOLE 984-Acetyl-2,2-difluoro-1,3-benzodioxole 98%1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethanone
PS-11336CS-04436834-acetyl-2,2-difluorobenzo[d]1,3-dioxolaneH700601-(2,2-Difluoro-1,3-benzodioxol-4-yl)ethan-1-one, 2',3'-(Difluoromethylenedioxy)acetophenone

Database identifiers

CAS
126120-83-0
PubChem CID
10987257
DTXSID
DTXSID60450860

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
232.8 · 232.8±40.0 °C(Predicted)
Density
1.42 · 1.42±0.1 g/cm3(Predicted)
form
crystalline solid
color
Off white to faint yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2932990090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Suppliers8 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

6 records
New reaction record

Linked notes

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