Butanedioic acid,2-(3-bromophenyl)- supplier

Name
(3-BROMOPHENYL)SUCCINIC ACID
EINECS
CAS No. 69006-89-9
Density 1.691 g/cm³
Solubility
Melting Point 172-173 °C
Formula C₁₀H₉BrO₄
Boiling Point 365.6 °C at 760 mmHg
Molecular Weight 273.083
Flash Point 174.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3-Bromophenyl)butanedioic acid;(m-Bromophenyl)succinic acid;2-(3-Bromophenyl)succinic acid;Butanedioicacid, (3-bromophenyl)- (9CI);
PSA
LogP

Butanedioic acid,2-(3-bromophenyl)- Specification

The CAS register number of Butanedioic acid,2-(3-bromophenyl)- is 69006-89-9. It also can be called as 2-(3-Bromophenyl)succinic acid and the systematic name about this chemical is 2-(3-bromophenyl)butanedioic acid. The molecular formula about this chemical is C₁₀H₉BrO₄ and the molecular weight is 273.08. This chemical is irritant and may cause inflammation to the skin or other mucous membranes.

Physical properties about Butanedioic acid,2-(3-bromophenyl)- are: (1)ACD/LogP: 1.99; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 74.6 Å²; (6)Index of Refraction: 1.608; (7)Molar Refractivity: 55.88 cm³; (8)Molar Volume: 161.4 cm³; (9)Polarizability: 22.15x10^-24cm³; (10)Surface Tension: 63.7 dyne/cm; (11)Density: 1.691 g/cm³; (12)Flash Point: 174.9 °C; (13)Enthalpy of Vaporization: 64.56 kJ/mol; (14)Boiling Point: 365.6 °C at 760 mmHg; (15)Vapour Pressure: 5.49E-06 mmHg at 25 °C.

Uses of Butanedioic acid,2-(3-bromophenyl)-: it can be used to produce 4-[3-(3-bromo-phenyl)-2,5-dioxo-pyrrolidin-1-yl]-benzenesulfonamide with 4-amino-benzenesulfonamide. The reaction temperature is 180 - 200 °C. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)C(CC(O)=O)C(O)=O
(2)InChI: InChI=1/C10H9BrO4/c11-7-3-1-2-6(4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
(3)InChIKey: JRITXMRVPIRIAY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H9BrO4/c11-7-3-1-2-6(4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
(5)Std. InChIKey: JRITXMRVPIRIAY-UHFFFAOYSA-N

Product Name

(3-BROMOPHENYL)SUCCINIC ACID

Butanedioic acid,2-(3-bromophenyl)- Specification

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