2-Chloro-4,6-difluorobenzothiazole

HCID 2049883CAS 252681-57-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(F)c2nc(Cl)sc2c1
InChIKey
LZXONCQHRWRSKB-UHFFFAOYSA-N
Molecular formula
C7H2ClF2NS
Average molar mass
205.61 g/mol
Monoisotopic mass
204.95645418

Names & identifiers

Preferred name
2-Chloro-4,6-difluorobenzothiazole
IUPAC
2-chloro-4,6-difluoro-1,3-benzothiazole
English name
2-Chloro-4,6-difluorobenzothiazole
Molecular formula
C7H2ClF2NS
Molecular weight
205.61

Names & synonyms

2-Chloro-4,6-difluorobenzothiazole252681-57-52-chloro-4,6-difluoro-1,3-benzothiazoleMFCD04971835SCHEMBL1748249DTXSID80365967F1910-0032AKOS0052080622-chloro-4,6-difluorobenzo[d]thiazoleDS-10705SY065339CS-0019009
Show more names
Benzothiazole, 2-chloro-4,6-difluoro-Benzothiazole, 2-chloro-4,6-difluoro- (9CI)
DB-027930EN300-237749F076310

Database identifiers

CAS
252681-57-5
PubChem CID
2049883
DTXSID
DTXSID80365967

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

hs_code
29342000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]

Related reactions

10 records
New reaction record

Linked notes

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