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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 | Hazard Symbols | Xi | |
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 |
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. |