6-Bromo isatinic anhydride supplier

Name
6-BROMOISATIN
EINECS
CAS No. 77603-45-3
Article Data12
CAS DataBase
Density 1.826 g/cm³
Solubility
Melting Point 99-103oC
Formula C₈H₄BrNO₃
Boiling Point
Molecular Weight 242.029
Flash Point
Transport Information
Appearance
Safety
Risk Codes R22; R36/38
Molecular Structure
Hazard Symbols Xn
Synonyms Isatoicanhydride, 6-bromo- (6CI);5-Bromo-2H-3,1-benzoxazine-2,4(1H)-dione;6-bromo-2H-3,1-benzoxazine-2,4(1H)-dione;6-Bromo isatinic anhydride;6-Bromo-2H-3,1-benzoxazine-2,4(1H)-dione;2H-3,1-Benzoxazine-2,4(1H)-dione, 6-bromo-;5-Bromoisatoic anhydride;6-Bromo-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione;
PSA 46.17000
LogP 1.72190

6-Bromo isatinic anhydride Specification

The 6-Bromo isatinic anhydride, with the CAS registry number 77603-45-3, has the systematic name of 6-bromo-2H-3,1-benzoxazine-2,4(1H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₄BrNO₃.

The characteristics of 6-Bromo isatinic anhydride are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.07; (6)ACD/BCF (pH 7.4): 11.02; (7)ACD/KOC (pH 5.5): 194.5; (8)ACD/KOC (pH 7.4): 193.76; (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: 1.622; (14)Molar Refractivity: 46.71 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 18.52×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.826 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc1c(C(=O)OC(=O)N1)c2
(2)InChI: InChI=1/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
(3)InChIKey: DXSMYDSFWCOSFM-UHFFFAOYAG

Product Name

6-BROMOISATIN

6-Bromo isatinic anhydride Specification

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