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CAS 119446-68-3 Difenoconazole molecular structure lightbox
CAS RN: 119446-68-3

Difenoconazole

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260414 250mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260331 1ml In stock Inquiry
  • Product code: SSC-019993
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119446-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

119446-68-3 / 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Difenoconazole | Score | Bardos Neu

Standard CAS: 119446-68-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
119446-68-3
Multi CAS
Yes
Molecular Formula
C19H17Cl2N3O3
Molecular Weight
406.300000
Exact Mass
405.064697
SMILES
CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
InChIKey
BQYJATMQXGBDHF-UHFFFAOYSA-N
Synonyms
Difenoconazole Score Bardos Neu Difenoconazol Dividend

Physical Properties

Melting Point
78.6 °C
Boiling Point
100.8 °C (3.7 mPa)
Density
1.5 g/cu cm at 20 °C
Appearance
White crystalline solid White to light beige crystals Beige-grayish crystalline solid
State
Solid
Storage Conditions
Always use original container to store pesticides in a cool, dry secured warehouse or storage building. DO NOT store near food and feed. Containers should be opened in well-ventilated areas. Keep container tightly sealed when not in use.

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
101.18
TPSA
58.4

LogP / Solubility

WLOGP
4.67
MLOGP
4.13
XLogP3
4
Consensus LogP
4.27
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H351: Suspected of causing cancer [Warning Carcinogenicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P391, P405, and P501 P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P330, P337+P317, P391, and P501 P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P308+P316, P318, P319, P330, P337+P317, P391, P405, and P501 P261, P264, P264+P265, P270, P271, P301+P317, P304+P340, P305+P351+P338, P317, P330, P337+P317, and P501

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