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CAS 1071-83-6 N-(Phosphonomethyl)glycine solution, 10μg/ml,u=2% molecular structure lightbox
CAS RN: 1071-83-6

N-(Phosphonomethyl)glycine solution, 10μg/ml,u=2%

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Batchno.20250124 1ml In stock Shanghai, Chongqing, Hebei Inquiry
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  • Product code: LINN816138
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1071-83-6 / 2-(phosphonomethylamino)acetic acid

glyphosate | N-(Phosphonomethyl)glycine | Glyphosphate

Standard CAS: 1071-83-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1071-83-6
Multi CAS
Yes
Molecular Formula
C3H8NO5P
Molecular Weight
169.070000
Exact Mass
169.014009
SMILES
C(C(=O)O)NCP(=O)(O)O
InChI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey
XDDAORKBJWWYJS-UHFFFAOYSA-N
Synonyms
glyphosate N-(Phosphonomethyl)glycine Glyphosphate Glyfos N-Phosphonomethylglycine

Physical Properties

Melting Point
446 °F (decomposes) (NTP, 1992) 230 °C (dec) Gilfonos, Roundup: Clear, viscous amber-colored solution; pH 4.4-4.9. Practically odorless to slight amine-like odor. Lider: Colorless crystals. MW: 169.09; MP: 200 °C
Density
1.74 (NTP, 1992) - Denser than water; will sink 1.705 at 20 °C 1.7 g/cm³
Physical Description
Glyphosate is an odorless white powder. Decomposition begins at approximately 419 °F (darkens). pH (1% solution in water) 2.5. (NTP, 1992) White solid; [Merck Index] Colorless solid; [ICSC] COLOURLESS CRYSTALS.
Appearance
White crystals White solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it under ambient temperatures. (NTP, 1992) Provision to contain effluent from fire extinguishing. Separated from food and feedstuffs. Well closed. Do NOT store or transport in containers made from galvanized steel or unlined steel. Store in an area without drain or sewer access. 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. Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place.

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
4
Molar refractivity
32.55
TPSA
106.86

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.06
XLogP3
-4.6
Consensus LogP
-2.29
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very 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)
-4.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Environmental Hazard Health Hazard Irritant
Signal
Danger
GHS Hazard Statements
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H318 (99.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H411 (99.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H351: Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 P203, P264+P265, P273, P280, P305+P354+P338, P317, P318, P405, and P501 P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P317, P319, P391, P403+P233, P405, and P501 P203, P260, P261, P264+P265, P271, P280, P304+P340, P305+P354+P338, P317, P318, P319, P403+P233, P405, and P501

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