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CAS 101200-48-0 Tribenuron-methyl, 100μg/mL, U(%)=2 in acetone molecular structure lightbox
CAS RN: 101200-48-0

Tribenuron-methyl, 100μg/mL, U(%)=2 in acetone

  • Product code: SSC-002048
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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: 1g
  • 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 101200-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

101200-48-0 / methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate

TRIBENURON-METHYL | Tribenuron methyl | Sulfmethmeton-methyl

Standard CAS: 101200-48-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101200-48-0
Multi CAS
Yes
Molecular Formula
C15H17N5O6S
Molecular Weight
395.400000
Exact Mass
395.089954
SMILES
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChIKey
VLCQZHSMCYCDJL-UHFFFAOYSA-N
Synonyms
TRIBENURON-METHYL Tribenuron methyl Sulfmethmeton-methyl Express Tribenuron methyl ester

Physical Properties

Melting Point
141 °C
Density
1.46 at 20 °C Relative density (water = 1): 1.5
Physical Description
Tribenuron-methyl appears as colorless crystals. Non corrosive. Used as an herbicide. Brown solid; [ICSC] Off-white or light brown solid; [HSDB] Colorless solid; [CAMEO] Light beige solid; BROWN SOLID IN VARIOUS FORMS.
Appearance
Off-white powder Light brown solid
State
Solid
Storage Conditions
Store in original container. Do not contaminate pesticides, fertilizers, food, or feed by storage or disposal. Safe Storage of Pesticides. Always store pesticides in their original containers, complete with labels that list ingredients, directions for use, and first aid steps in case of accidental poisoning. Never store pesticides in cabinets with or near food, animal feed, or medical supplies. Do not store pesticides in places where flooding is possible or in places where they might spill or leak into wells, drains, ground water, or surface water.

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
93.02
TPSA
140.68

LogP / Solubility

WLOGP
0.51
MLOGP
0.47
XLogP3
1.2
Consensus LogP
0.73
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] 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] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501
DOT ID (UN/NA Number)
2763 2998 2997 2764

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