3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole - CAS 1201-68-9

Catalog:	BB004744
Product Name:	3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CAS:	1201-68-9
Synonyms:	3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole; 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
Description:	3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole (CAS# 1201-68-9) is a useful research chemical.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NO2)CCl
InChI:	InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	VEIXFEJMHJPUBS-UHFFFAOYSA-N
Boiling Point:	316.9 °C at 760 mmHg
Melting Point:	64 °C
Purity:	95 %
Density:	1.283 g/cm³
MDL:	MFCD00084968
LogP:	2.47540

Publication Number	Title	Priority Date
WO-2019067442-A1	DIHYDROTHIENO [3,2-B] PYRIDINE COMPOUNDS	20170926
US-10240084-B2	Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications	20140325
US-2015275076-A1	Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications	20140325
CN-104870445-A	Novel dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders (gpr84 antagonists)	20121220
EP-2935262-A1	Novel dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders (gpr84 antagonists)	20121220

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2