2-Chloro-5-trifluoromethyl-(1,3,4)thiadiazole

HCID 13246789CAS 53645-98-0

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Basic information

Standard SMILES: FC(F)(F)c1nnc(Cl)s1
InChIKey: JXKUSPGMGMPURG-UHFFFAOYSA-N
Molecular formula: C3ClF3N2S
Average molar mass: 188.56 g/mol
Monoisotopic mass: 187.94228134

Names & identifiers

Preferred name: 2-Chloro-5-trifluoromethyl-(1,3,4)thiadiazole
IUPAC: 2-chloro-5-(trifluoromethyl)-1,3,4-thiadiazole
English name: 2-Chloro-5-trifluoromethyl-1,3,4-thiadiazole
Molecular formula: C3ClF3N2S
Molecular weight: 188.56

Names & synonyms

2-Chloro-5-trifluoromethyl-[1,3,4]thiadiazole2-Chloro-5-trifluoromethyl-(1,3,4)thiadiazoleRefChem:469462692-389-453645-98-02-chloro-5-(trifluoromethyl)-1,3,4-thiadiazole2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole2-Chloro-5-trifluoromethyl-1,3,4-thiadiazoleMFCD04972766C3ClF3N2S2-chloro-5-trifluoromethyl-(1,3,4)-thiadiazole1,3,4-Thiadiazole, 2-chloro-5-(trifluoromethyl)-

Show more names

5-Chloro-2-(trifluoromethyl)-1,3,4-thiadiazole2-Chloro-5-(trifluoromethyl)-1,3,4-thiadiazole 95+%

SCHEMBL701494DTXSID10531774SBB090840AKOS012692648AS-5565CS-W0057972-chloro-5-trifluoromethyl-[1,3,4]thiadiazolF16376

Database identifiers

CAS: 53645-98-0
PubChem CID: 13246789
DTXSID: DTXSID10531774
EC Number: 692-389-4

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.