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| CAS No.: | 57754-85-5 |
|---|---|
| Name: | Clopyralid (2-hydroxyethyl)ammonium |
| Molecular Structure: | |
|
|
| Formula: | C6H3Cl2NO2.C2H7NO |
| Molecular Weight: | 253.08 |
| Synonyms: | 2-aminoethanol; 3,6-dichloropyridine-2-carboxylic acid;2-Pyridinecarboxylic acid,3,6-dichloro-,compd. with 2-aminoethanol (1:1);3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1);M 3972;Clopyralid-(2-hydroxyethyl)ammonium;clopyralid-olamine; |
| EINECS: | 260-929-4 |
| Boiling Point: | 323.7 °C at 760 mmHg |
| Flash Point: | 149.6 °C |
| Hazard Symbols: |
 Xi N
|
| Risk Codes: | 41-51/53 |
| Safety: | 26-30-61 |
| Transport Information: | UN 3077 |
| PSA: | 96.44000 |
| LogP: | 1.72430 |
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Specification
The Clopyralid (2-hydroxyethyl)ammonium, with cas registry number 57754-85-5, has the systematic name of 3,6-dichloropyridine-2-carboxylic acid - 2-aminoethanol (1:1). And its IUPAC name is 2-aminoethanol; 3,6-dichloropyridine-2-carboxylic acid. What's more, its EINECS is 260-929-4.
Physical properties about this chemical are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Enthalpy of Vaporization: 59.72 kJ/mol; (14)Vapour Pressure: 0.000106 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Clopyralid (2-hydroxyethyl)ammonium has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid release to the environment. Refer to special instructions / safety data sheets. When use it, you should never add water to this product.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(nc(Cl)cc1)C(=O)O.OCCN
(2)InChI: InChI=1/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2
(3)InChIKey: NQQBTWVFKDDVIB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2
(5)Std. InChIKey: NQQBTWVFKDDVIB-UHFFFAOYSA-N