6-Bromoquinazoline-2,4-dione supplier

Name
6-BROMO-2,4(1H,3H)-QUINAZOLINEDIONE
EINECS
CAS No. 88145-89-5
Density 1.752 g/cm³
Solubility
Melting Point >300
Formula C₈H₅BrN₂O₂
Boiling Point
Molecular Weight 241.044
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Bromo-1H-quinazoline-2,4-dione;6-Bromo-2,4-quinazolinedione;
PSA 65.72000
LogP 0.97890

6-Bromoquinazoline-2,4-dione Specification

The 6-Bromoquinazoline-2,4-dione is an organic compound with the formula C₈H₅BrN₂O₂. The systematic name of this chemical is 6-bromoquinazoline-2,4(1H,3H)-dione. With the CAS registry number 88145-89-5, it is also named as 2,4(1H,3H)-quinazolinedione, 6-bromo-. What's more, this chemical should be stored at room temperature.

The other characteristics of 6-Bromoquinazoline-2,4-dione can be summarized as: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.93; (7)ACD/KOC (pH 5.5): 124.74; (8)ACD/KOC (pH 7.4): 124.31; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 48.46 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 19.21×10^-24 cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.752 g/cm³.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc2ccc1c(C(=O)NC(=O)N1)c2
2. InChI:InChI=1/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
3. InChIKey:JZDVFUAHGLJVQG-UHFFFAOYAO
4. Std. InChI:InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
5. Std. InChIKey:JZDVFUAHGLJVQG-UHFFFAOYSA-N

Product Name

6-BROMO-2,4(1H,3H)-QUINAZOLINEDIONE

6-Bromoquinazoline-2,4-dione Specification

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