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CAS No.: | 5926-51-2 |
---|---|
Name: | BROMOMALEIC ANHYDRIDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C4HBrO3 |
Molecular Weight: | 176.954 |
Synonyms: | Maleicanhydride, bromo- (6CI,7CI,8CI);Bromomaleic anhydride;NSC 96611; |
EINECS: | 227-659-9 |
Density: | 2.256 g/cm3 |
Boiling Point: | 215 °C at 760 mmHg |
Flash Point: | 100 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 43.37000 |
LogP: | 0.34860 |
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The IUPAC name of 2,5-Furandione,3-bromo- is 3-bromofuran-2,5-dione. With the CAS registry number 5926-51-2, it is also named as Bromomaleic anhydride. The product's categories are Anhydride Monomers; Monomers; Polymer Science. It must be kept away from strong oxidizer, alkali and acid. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.57; (8)ACD/KOC (pH 7.4): 23.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 27.69 cm3; (14)Molar Volume: 78.4 cm3; (15)Polarizability: 10.98×10-24 cm3; (16)Surface Tension: 71.4 dyne/cm; (17)Enthalpy of Vaporization: 45.13 kJ/mol; (18)Vapour Pressure: 0.151 mmHg at 25°C; (19)Exact Mass: 175.910906; (20)MonoIsotopic Mass: 175.910906; (21)Topological Polar Surface Area: 43.4; (22)Heavy Atom Count: 8; (23)Complexity: 182.
Uses of 2,5-Furandione,3-bromo-: It can react with methanol to get (E)-3-bromo-3-methoxycarbonylacrylic acid. This reaction must react at ambient temperature. The reaction time is 18 hours. The yield is 86%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. Smiles:C1=C(C(=O)OC1=O)Br
2. InChI:InChI=1/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H