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5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole structure

CAS No:
723286-98-4
Formula:
C4H2ClF3N2O
Chemical Name:
5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole
Synonyms:
1,3,4-Oxadiazole,2-(chloromethyl)-5-(trifluoromethyl)-;2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole;5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole;2-Chloromethyl-5-trifluoromethyl-1,3,4-oxadiazole;5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow Liquid

5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole Basic Attributes

Molecular Weight：

186.5196896

Exact Mass：

186.52

DSSTox ID：

DTXSID80439930

HScode：

2934999090

Characteristics

PSA：

38.9

XLogP3：

1.02

Density：

1.6±0.1 g/cm3

Boiling Point：

55-60 °C @ Press: 10 Torr

Flash Point：

41.1±30.1 °C

Refractive Index：

1.407

Safety Information

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole Use and Manufacturing

Sitagliptin intermediate. An anti-hypertensive agent for the treatment of diabetes and hypertension.

Computed Properties

Molecular Weight:186.52
XLogP3:1.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:185.9807749
Monoisotopic Mass:185.9807749
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Latest News on 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

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Guide of 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

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