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CAS No.: | 143769-25-9 |
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Name: | 2-AMINO-3,5-DIBROMO-6-CHLOROBENZOIC ACID |
Molecular Structure: | |
Formula: | C7H4Br2ClNO2 |
Molecular Weight: | 329.375 |
Synonyms: | 2-Amino-6-chloro-3,5-dibromobenzoic acid 98%; |
Density: | 2.217 g/cm3 |
Melting Point: | 212-215 °C |
Boiling Point: | 392.2 °C at 760 mmHg |
Flash Point: | 191 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 63.32000 |
LogP: | 3.72660 |
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The Benzoic acid,2-amino-3,5-dibromo-6-chloro-, with the CAS registry number 143769-25-9, is also known as 2-Amino-6-chloro-3,5-dibromobenzoic acid 98%. This chemical's molecular formula is C7H4Br2ClNO2 and molecular weight is 329.3732. Its systematic name is called 2-amino-3,5-dibromo-6-chlorobenzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,2-amino-3,5-dibromo-6-chloro-: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.95; (7)ACD/KOC (pH 7.4): 2.26; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.704; (12)Molar Refractivity: 57.69 cm3; (13)Molar Volume: 148.5 cm3; (14)Surface Tension: 71.5 dyne/cm; (15)Density: 2.217 g/cm3; (16)Flash Point: 191 °C; (17)Enthalpy of Vaporization: 67.7 kJ/mol; (18)Boiling Point: 392.2 °C at 760 mmHg; (19)Vapour Pressure: 7.46E-07 mmHg at 25°C.
Uses of Benzoic acid,2-amino-3,5-dibromo-6-chloro-: it can be used to produce 6,8-dibromo-5-chloro-2-methyl-benzo[d][1,3]oxazin-4-one by heating. This reaction will need 30 min. The yield is about 96%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)O)c(c(Br)cc1Br)N
(2)InChI: InChI=1/C7H4Br2ClNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)
(3)InChIKey: YCVONUPUCAHKJM-UHFFFAOYAG