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3,5-Dichloroanthranilic acid

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Name

3,5-Dichloroanthranilic acid

EINECS 220-520-3
CAS No. 2789-92-6 Density 1.607 g/cm3
PSA 63.32000 LogP 2.85500
Solubility insoluble Melting Point 227-230 °C(lit.)
Formula C7H5Cl2NO2 Boiling Point 344.4 °C at 760 mmHg
Molecular Weight 206.028 Flash Point 162.1 °C
Transport Information N/A Appearance White crystal powder
Safety 26-37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2789-92-6 (3,5-Dichloroanthranilic acid) Hazard Symbols IrritantXi
Synonyms

Anthranilicacid, 3,5-dichloro- (6CI,7CI,8CI);2-Amino-3,5-dichlorobenzoic acid;3,5-Dichloro-2-aminobenzoic acid;NSC 1116;

Article Data 26

3,5-Dichloroanthranilic acid Specification

This chemical is called Benzoic acid, 2-amino-3,5-dichloro-, and its systematic name is 2-amino-3,5-dichlorobenzoic acid. With the molecular formula of C7H5Cl2NO2, its molecular weight is 206.03. The CAS registry number of this chemical is 2789-92-6. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Other characteristics of the Benzoic acid, 2-amino-3,5-dichloro- can be summarised as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 10.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 64.96; (8)ACD/KOC (pH 7.4): 2.87; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 47.2 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 18.71×10-24cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.607 g/cm3; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 62.1 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-05 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 2-amino-3,5-dichloro- could be obtained by the reactant of 2-amino-benzoic acid. This reaction needs the reagents of diethyl ether, sulfuryl chloride.

Uses of this chemical: The Benzoic acid, 2-amino-3,5-dichloro- could react with 1-chloro-4-phenyl-phthalazine, and obtain the 9,11-dichloro-5-phenyl-6,6a,12-triaza-benzo[a]anthracen-7-one. This reaction should be taken for 4 hours at the temperature of 150-160 °C. The yield is 60 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(Cl)cc(C(=O)O)c1N
2.InChI: InChI=1/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
3.InChIKey: KTHTXLUIEAIGCD-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1320mg/kg (1320mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 284, 1953.
rat LD50 oral 4120mg/kg (4120mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.

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