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1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)-

1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)- structure

CAS No:
66346-04-1
Formula:
C15H20ClN3O
Chemical Name:
1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)-
Synonyms:
1H-1,2,4-Triazole-1-ethanol,β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)-

Description

1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol is a member of the class of triazoles that is 2,2-dimethylpentane that is substituted at positions 2, 3, and 5 by hydroxy, 1,2,4-triazol-1-yl, and p-chlorophenyl groups, respectively. It is a member of triazoles, a member of monochlorobenzenes and a secondary alcohol.

1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)- Basic Attributes

Molecular Weight：

293.7918

Exact Mass：

293.79

EC Number：

266-325-7

DSSTox ID：

DTXSID2024242

Characteristics

PSA：

50.9

XLogP3：

3.2 (LogP)

Melting Point：

165.5 °C

Water Solubility：

1.03e-04 M

Vapor Pressure：

7.50e-09 mmHg

Safety Information

GHS Classification：

|Warning|H228 (32.39%): Flammable solid [Danger Flammable solids]|P201, P202, P210, P240, P241, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P322, P330, P337+P313, P363, P370+P378, P391, P405, and P501|Aggregated GHS information provided by 176 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

501.19 L/kg

Drug Information

MeSH Entry Terms：

1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)- Use and Manufacturing

Use Classification：

Agrochemicals -> Plant Growth Regulators

Computed Properties

Molecular Weight:293.79
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:293.1294900
Monoisotopic Mass:293.1294900
Topological Polar Surface Area:50.9
Heavy Atom Count:20
Complexity:300
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

1H-1,2,4-Triazole-1-ethanol, β-(cyclohexylmethylene)-α-(1,1-dimethylethyl)-, [R-(E)]-

93851-05-9

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Guide of 1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)-

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)-

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