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diniconazole

diniconazole structure

CAS No:
70217-36-6
Formula:
C15H17Cl2N3O
Chemical Name:
diniconazole
Synonyms:
Diclopentezol;α-tert-butyl-β-(2,4-dichlorophenylmethylene)-1h-1,2,4-triazole-1-ethanol;Diclopentezol, α-tert-Butyl-β-(2,4-dichlorophenylmethylene)-1H-1,2,4-triazole-1-ethanol;1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-
Categories:
Analytical Chemistry > Standard

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diniconazole Basic Attributes

Molecular Weight：

326.225

Exact Mass：

325.07500

EC Number：

617-485-5

DSSTox ID：

DTXSID2040363|DTXSID10273920

Characteristics

PSA：

50.94000

XLogP3：

3.99000

Density：

1.27g/cm3

Melting Point：

146.75 °C

Boiling Point：

501.1ºC at 760 mmHg

Flash Point：

150 °C

Refractive Index：

1.592

Water Solubility：

1.23e-05 M

Vapor Pressure：

3.68e-05 mmHg

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

22-50/53

safety instructions：

60-61

RTECS Number：

XZ4803550

Marks：

Xn,N

Precautionary statement(s)：

P273-P501

Hazard Statements：

H302-H410

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 208 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol

Computed Properties

Molecular Weight:326.2
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:325.0748676
Monoisotopic Mass:325.0748676
Topological Polar Surface Area:50.9
Heavy Atom Count:21
Complexity:384
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes