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Butanedioic acid,2-(3-bromophenyl)-

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Name

Butanedioic acid,2-(3-bromophenyl)-

EINECS N/A
CAS No. 69006-89-9 Density 1.691 g/cm3
PSA N/A LogP N/A
Solubility N/A 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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69006-89-9 ((3-BROMOPHENYL)SUCCINIC ACID) Hazard Symbols IrritantXi
Synonyms

2-(3-Bromophenyl)butanedioic acid;(m-Bromophenyl)succinic acid;2-(3-Bromophenyl)succinic acid;Butanedioicacid, (3-bromophenyl)- (9CI);

 

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

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