3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole - CAS 1195-25-1

Catalog:	BB004518
Product Name:	3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole
CAS:	1195-25-1
Synonyms:	3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole; 3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole
Description:	3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole (CAS# 1195-25-1) is a useful research chemical.
Molecular Weight:	201.44
Molecular Formula:	C4H3Cl3N2O
Canonical SMILES:	CC1=NOC(=N1)C(Cl)(Cl)Cl
InChI:	InChI=1S/C4H3Cl3N2O/c1-2-8-3(10-9-2)4(5,6)7/h1H3
InChI Key:	ZHFWJCUKKDMFIV-UHFFFAOYSA-N
Boiling Point:	203.7 °C at 760 mmHg
Density:	1.595 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD01938299
LogP:	2.20470

Publication Number	Title	Priority Date
WO-2017204318-A1	1,2,4-triazine derivative	20160527
CN-105646492-B	Substituted xanthine class compound and its preparation method and application containing five yuan of heteroaromatics	20141114
US-2013281398-A1	Treatment of diseases by epigenetic regulation	20120419
WO-2013186612-A1	The use of substituted 2-phenyl-3h-quinazolin-4-ones and analogs for inhibiting bet (bromodomain and extra terminal domain) proteins	20120419
US-2013184257-A1	Piperidinyl-substituted lactams as gpr119 modulators	20100917

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.931096
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.931096
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2