CAS No.4693-00-9,3,5-DICHLOROISATOIC ANHYDRIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4693-00-9
Name:	3,5-DICHLOROISATOIC ANHYDRIDE
Article Data:	12

Formula:	C₈H₃Cl₂NO₃
Molecular Weight:	232.023
Synonyms:	3,5-DICHLOROISATOIC ANHYDRIDE;6,8-DICHLORO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE;6,8-DICHLOROISATOIC ANHYDRIDE;6,8-dichloro-2H-3,1-benzoxazine-2,4(1H)-dione;6,8-dichloro-1H-3,1-benzoxazine-2,4-dione;6,8-dichloro-1H-3,1-benzoxazine-2,4-quinone
EINECS:	225-149-0
Density:	1.654 g/cm³
PSA:	63.07000
LogP:	1.78810

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- China (Mainland)(19)
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Specification

This chemical is called 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,8-dichloro-, and its systematic name is 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione. With the molecular formula of C₈H₃Cl₂NO₃, its molecular weight is 232.02. The CAS registry number of this chemical is 4693-00-9.

Other characteristics of the 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,8-dichloro- can be summarised as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20.19; (6)ACD/BCF (pH 7.4): 19.18; (7)ACD/KOC (pH 5.5): 299.02; (8)ACD/KOC (pH 7.4): 284.1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 48.81 cm³; (15)Molar Volume: 140.2 cm³; (16)Polarizability: 19.35×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.654 g/cm³.

Production method of this chemical: The 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,8-dichloro- could be obtained by the reactant of 5,7-dichloro-indoline-2,3-dione. This reaction needs the reagents of conc. H₂SO₄, 30 percent H₂O₂, and the solvents of acetic acid, H₂O. The yield is 90 %. In addition, this reaction should be taken for 2 hours at the temperature of 60-70 °C.

Uses of this chemical: The 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,8-dichloro- could react with 4-amino-benzoic acid, and obtain the 4-(2-amino-3,5-dichloro-benzoylamino)-benzoic acid. This reaction needs the solvent of dimethylformamide. The yield is 31 %. In addition, this reaction should be taken with the heating.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2OC(=O)Nc1c2cc(Cl)cc1Cl
2.InChI: InChI=1/C8H3Cl2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)
3.InChIKey: VOCGTJXVKKCXJH-UHFFFAOYAV