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| CAS No.: | 81334-34-1 |
|---|---|
| Name: | Imazapyr acid |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H15N3O3 |
| Molecular Weight: | 261.28 |
| Synonyms: | 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid;Charper;Chopper;Imazapyr;94795-74-1; |
| EINECS: | 200-158-5 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 169-173 °C |
| Boiling Point: | 425.1 °C at 760 mmHg |
| Flash Point: | 210.9 °C |
| Appearance: | off-white crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36-52/53 |
| Safety: | 26-61 |
| PSA: | 91.65000 |
| LogP: | 0.83530 |
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Chemistry
IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Empirical Formula: C13H15N3O3
Molecular Weight: 261.2765g/mol
Structure of 3-Pyridinecarboxylicacid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]- (CAS NO.81334-34-1):
Index of Refraction: 1.631
Molar Refractivity: 69.05 cm3
Molar Volume: 193.6 cm3
Polarizability: 27.37×10-24cm3
Surface Tension: 50.1 dyne/cm
Density: 1.34 g/cm3
Flash Point: 210.9 °C
Enthalpy of Vaporization: 71.66 kJ/mol
Boiling Point: 425.1 °C at 760 mmHg
Vapour Pressure: 5.51E-08 mmHg at 25°C
Melting point: 169-173°C
Storage temp: 0-6°C
Stability: Stable. Incompatible with strong oxidizing agents
Product Categories: Analytical Standards; Alpha sort; Alphabetic; Herbicides; H-MAnalytical Standards; Imidazolinone; IPesticides&Metabolites; Pesticides&Metabolites
Canonical SMILES: CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C
InChI: InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
InChIKey: CLQMBPJKHLGMQK-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| duck | LD50 | oral | > 2150mg/kg (2150mg/kg) | Pesticide Manual. Vol. 9, Pg. 487, 1991. | |
| mouse | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 486, 1991. | |
| quail | LD50 | oral | > 2150mg/kg (2150mg/kg) | Pesticide Manual. Vol. 9, Pg. 487, 1991. | |
| rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 486, 1991. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 486, 1991. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36-52/53
R36:Irritating to eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RTECS: US5682500
Specification
3-Pyridinecarboxylicacid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]- , its cas register number is 81334-34-1. It also can be called (+-)-Imazapyr ; 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid ; 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid ; AC 243,997 ; Arsenal ; Arsenal 250A ; Chopper ; EPA Pesticide Chemical Code 128821 ; HSDB 6676 ; Imazapyr . 3-Pyridinecarboxylicacid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]- (CAS NO.81334-34-1) is harmful to aquatic organisms, and may cause long-term adverse effects in the aquatic environment.