1-Fluoro-4-(methylsulphonyl)benzene

HCID 67994
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Basic information

CAS
455-15-2
Standard SMILES
CS(=O)(=O)c1ccc(F)cc1
InChIKey
DPJHZJGAGIWXTD-UHFFFAOYSA-N
Molecular formula
C7H7FO2S
Average molar mass
174.19 g/mol
Monoisotopic mass
174.01507868

Names & identifiers

Preferred name
1-Fluoro-4-(methylsulphonyl)benzene
IUPAC
1-fluoro-4-methylsulfonylbenzene
English name
4-Fluorophenyl methyl sulfone
Molecular formula
C7H7FO2S
Molecular weight
174.19

Names & synonyms

4-Fluorophenyl methyl sulfone455-15-21-Fluoro-4-(methylsulphonyl)benzeneDTXSID80196531EINECS 207-237-0NSC 226256RefChem:432824DTXCID20119022207-237-0InChI=1/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H1-Fluoro-4-(methylsulfonyl)benzeneBenzene, 1-fluoro-4-(methylsulfonyl)-
Show more names
4-Fluorophenyl4-FLUOROPHENYL METHYFormula: FC6H4SO2CH3Etoricoxib Impurity 125Bicalutamide Impurity 30Methyl 4-fluorophenyl sulfoneMethyl(4-fluorophenyl) sulfone4-FLUOROPHENYL METHYL SULPHONE
1-fluoro-4-methylsulfonylbenzene1-fluoro-4-methanesulfonylbenzeneMFCD00039753Sulfone, p-fluorophenyl methyl8Z2TY4MZF4p-fluorophenyl methyl sulfoneHMS1729A151-Fluoro-4-(methylsulfonyl)benzene #

Database identifiers

CAS
455-15-2
PubChem CID
67994
DTXSID
DTXSID80196531
UNII
8Z2TY4MZF4
EC Number
207-237-0
Nikkaji
J124.118D

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
78 · 78-81 °C (lit.)
Boiling point
95 · 95-97°C 7mm
Density
1.2768 · 1.2768 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform, Dichloromethane, Dimethyl Sulfoxide, Methanol
form
Adhering Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29309090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4-Fluorophenyl methyl sulfone was used in the preparation of 4-(4′-trifluoromethoxyphenoxy)phenyl methyl sulfone.

Uses4-Fluorophenyl methyl sulfone is used for preparation of substituted indazole amides as glucokinase activators.

Upstream & downstream products

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

Related reactions

89 records
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Compound notes

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