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Fenbuconazole

Fenbuconazole structure

CAS No:
114369-43-6
Formula:
C19H17ClN4
Chemical Name:
Fenbuconazole
Synonyms:
1H-1,2,4-Triazole-1-propanenitrile,α-[2-(4-chlorophenyl)ethyl]-α-phenyl-;α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile;Fenethanil;Indar 5;Fenbuconazole;RH 7592;AG 4452;4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile;Indar;119611-00-6;205862-65-3;1135441-06-3
Categories:
Agrochemicals > Fungicides

Description

4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is a member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. It is a member of triazoles, a nitrile and a member of monochlorobenzenes.

Fenbuconazole Basic Attributes

Molecular Weight：

336.82

Exact Mass：

336.82

EC Number：

406-140-2

DSSTox ID：

DTXSID8032548

Characteristics

PSA：

54.5

XLogP3：

3.35

Density：

1.1288 (rough estimate)

Melting Point：

125 °C

Boiling Point：

507.14°C (rough estimate)

Flash Point：

284.2±32.9 °C

Refractive Index：

1.6110 (estimate)

Water Solubility：

H2O: 0.2 mg l -1 (25 °C)

Storage Conditions：

0-6°C

Vapor Pressure：

5 x l0 -6 Pa (20 °C)

Toxicity：

LD50 in rats (mg/kg): >2000 orally; >5000 dermally (Driant)

Collision Cross Section：

182.44 Å² [M+H]+ [CCS Type: TW]

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

RTECS Number：

XZ5257500

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H400 (20%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|Aggregated GHS information provided by 195 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H373 (93.42%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P273, P314, P391, and P501|Aggregated GHS information provided by 76 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P260, P281, P308+P313, P314, P405, and P501

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

(RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyrontrile

Fenbuconazole Use and Manufacturing

Uses

Agricultural fungicide.

Use Classification：

Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Fenbuconazole has known environmental transformation products that include 1,2 dihydro-triazolone, 1,2,4 triazole, 1,2,4 triazole acetic-acid, Hydroxy Fenbuconazole, Hydroxy-Triazole, RH-6467 4-(4-chlorophenyl)-2-(methyl-1H-1,2,4-triazole)-4-oxo-2-phenyl butane nitrile, RH-6468 "iminolactone", RH-9129 cis-5-(4-chlorophenyl) dihydro-3-phenyl-3-(1H-1,2,3-triazol-1-yl)methyl-2(3H)-furanone, and Triazole alanine.

Computed Properties

Molecular Weight:336.8
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:336.1141743
Monoisotopic Mass:336.1141743
Topological Polar Surface Area:54.5
Heavy Atom Count:24
Complexity:434
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Product Name: Fenbuconazole

CAS No.: 114369-43-6

Grade: Industrial Grade

Content: 96.5%

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