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| CAS No.: | 53775-55-6 |
|---|---|
| Name: | POTASSIUM 5-(2,4-DICHLOROPHENOXY)-2-NITROBENZOATE |
| Molecular Structure: | |
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|
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| Formula: | C13H7Cl2NO5•K |
| Molecular Weight: | 367.21 |
| Synonyms: | MC 7783;Benzoic acid,5-(2,4-dichlorophenoxy)-2-nitro-,potassium salt;LS 83.5002;LS 83-5002;MCTR 171-78;BENZOIC ACID, 5-(2,4-DICHLOROPHENOXY)-2-NITRO-, POTASSIUM SALT; |
| Density: | g/cm3 |
| Boiling Point: | 457.4°Cat760mmHg |
| Flash Point: | 230.4°C |
| Hazard Symbols: | Low toxicity by ingestion, inhalation, and skin contact. A mild skin irritant. |
| Safety: | Low toxicity by ingestion, inhalation, and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
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Chemistry
IUPAC Name: potassium 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Empirical Formula: C13H6Cl2KNO5
Molecular Weight: 366.1947g/mol
H-Bond Donor: 0
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 364.92601
MonoIsotopic Mass: 364.92601
Topological Polar Surface Area: 92.5
Heavy Atom Count: 22
Formal Charge: 0
Complexity: 397
Flash Point: 230.4 °C
Enthalpy of Vaporization: 75.6 kJ/mol
Boiling Point: 457.4 °C at 760 mmHg
Vapour Pressure: 3.69E-09 mmHg at 25°C
Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])[N+](=O)[O-].[K+]
InChI: InChI=1S/C13H7Cl2NO5.K/c14-7-1-4-12(10(15)5-7)21-8-2-3-11(16(19)20)9(6-
8)13(17)18;/h1-6H,(H,17,18);/q;+1/p-1
InChIKey: BYEJYKXXMSURIM-UHFFFAOYSA-M
Structure of 5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid potassium salt (CAS NO.53775-55-6):
.bmp)
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LC50 | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0571928, | |
| rat | LC50 | inhalation | > 2gm/m3/1H (2000mg/m3) | National Technical Information Service. Vol. OTS0571928, | |
| rat | LDLo | oral | 5gm/kg (5000mg/kg) | GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0571928, |
Safety Profile
Low toxicity by ingestion, inhalation, and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid potassium salt , its cas register number is 53775-55-6. It also can be called
Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-, potassium salt . It is low toxic by ingestion, inhalation, and skin contact. And 5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid potassium salt (CAS NO.53775-55-6) is irritating to skin. When heated to decomposition it emits toxic vapors of NOx and Cl−.