2-Benzothiazolinone, 6-fluoro-

HCID 44667CAS 63754-96-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1[nH]c2ccc(F)cc2s1
InChIKey
HCFZOCSVSDAYQF-UHFFFAOYSA-N
Molecular formula
C7H4FNOS
Average molar mass
169.18 g/mol
Monoisotopic mass
168.99976297

Names & identifiers

Preferred name
2-Benzothiazolinone, 6-fluoro-
IUPAC
6-fluoro-3H-1,3-benzothiazol-2-one
English name
6-Fluoro-2(3H)-benzothiazolone
Molecular formula
C7H4FNOS
Molecular weight
169.18

Names & synonyms

6-Fluoro-2(3H)-benzothiazolone2-BENZOTHIAZOLINONE, 6-FLUORO-BRN 11035426-Fluor-2(3H)-benzothiazolon6-Fluor-2(3H)-benzothiazolon [German]DTXSID00213193RefChem:256397DTXCID0013568463754-96-16-fluorobenzo[d]thiazol-2(3H)-one6-fluoro-3H-1,3-benzothiazol-2-one6-fluoro-1,3-benzothiazol-2-ol
Show more names
6-Fluorobenzothiazolone6-Fluoro-3H-benzothiazol-2-one2(3H)-Benzothiazolone,6-fluoro-(9CI)
MFCD016633566-Fluoro-1,3-benzothiazol-2(3H)-one6-fluoro-2,3-dihydro-1,3-benzothiazol-2-one6-Fluoro-benzothiazol-2-one6-Fluorobenzo[d]thiazol-2-ol2(3H)-Benzothiazolone, 6-fluoro-6-fluorobenzothiazol-2-one6-Fluoro-2-hydroxybenzothiazole

Database identifiers

CAS
63754-96-1
PubChem CID
44667
DTXSID
DTXSID00213193
Nikkaji
J1.944.618B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point
188.4 °C · 188.4 °C
Density
1.474 · 1.474±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.26 · 9.26±0.20(Predicted)
Appearance
White to yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Upstream & downstream products

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

17 records
New reaction record

Linked notes

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