5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole

HCID 2783006
NotesReactions
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Basic information

CAS
317318-97-1
Standard SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCl
InChIKey
JQVJAQPUFIIRJP-UHFFFAOYSA-N
Molecular formula
C12H9ClF3NS
Average molar mass
291.72 g/mol
Monoisotopic mass
291.00963263

Names & identifiers

Preferred name
5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
IUPAC
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
English name
Thiazole,5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-
Molecular formula
C12H9ClF3NS
Molecular weight
291.72

Names & synonyms

5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazoleRefChem:534971692-191-8317318-97-15-(chloromethyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazoleMFCD037911735-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole5-chloromethyl-4-methyl-2-(4-trifluoromethylphenyl)thiazoleC12H9ClF3NS5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)-phenyl]-1,3-thiazole5-(Chloromethyl)-4-methyl-2-(4-trifluoromethylphenyl)-1,3-thiazole;
Show more names
ChloroMethylthiazole5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-...Thiazole,5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-
4-[5-(Chloromethyl)-4-methyl-1,3-thiazol-2-yl]benzotrifluorideThiazole, 5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-SCHEMBL977726DTXSID60382399SBB054931AKOS005070102AC-28805SY025634

Database identifiers

CAS
317318-97-1
PubChem CID
2783006
DTXSID
DTXSID60382399
EC Number
692-191-8
Nikkaji
J2.054.789H

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

Melting point
60 · 60-62°
Boiling point
363.5 · 363.5±52.0 °C(Predicted)
Density
1.357 · 1.357±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Chloroform, Methanol
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2934100090
Signal word
Warning
Symbol(GHS)
GHS05,GHS07,GHS08,GHS09
hazard_class
IRRITANT
Hazard statements
H290-H302-H318-H341b-H410
Precautionary statements
P201-P202-P264b-P270-P281-P305+P351+P338-P310-P330-P390-P406b-P501c

Chemistry & industry

Applications

UsesIntermediate in the production of GW 501516 and its derivatives

Upstream & downstream products

Suppliers60 total

济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

60 records
New reaction record

Compound notes

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