2'-Bromo-4-chlorophenylacetic acid methyl ester supplier

Name
2'-Bromo-4-chlorophenylacetic acid methyl ester
EINECS 200-258-5
CAS No. 24091-92-7
Article Data30
CAS DataBase
Density 1.567±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₉H₈BrClO₂
Boiling Point 149-152 °C(Press: 16 Torr)
Molecular Weight 263.518
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, bromo(p-chlorophenyl)-, methyl ester (6CI,8CI);2-(4-Chlorophenyl)-2-bromoacetic acid methyl ester;2-Bromo-2-(4-chlorophenyl)acetic acid methyl ester;Bromo(4-chlorophenyl)aceticacid methyl ester;Methyl 2-bromo-2-(4-chlorophenyl)acetate;Methylbromo(4-chlorophenyl)acetate;Methyl a-bromo-4-chlorophenylacetate;Methyl a-bromo-p-chlorobenzeneacetate;Methyl a-bromo-p-chlorophenylacetate;
PSA 26.30000
LogP 2.81800

2'-Bromo-4-chlorophenylacetic acid methyl ester Specification

The systematic name of 2'-Bromo-4-chlorophenylacetic acid methyl ester is Methyl (2-bromo-4-chlorophenyl)acetate. With the CAS registry number 24091-92-7, it is also named as Benzeneacetic acid, a-bromo-4-chloro-, methyl ester. The product's category is aromatic esters. In addition, its molecular formula is C₉H₈BrClO₂ and its molecular weight is 263.52.

The other characteristics of 2'-Bromo-4-chlorophenylacetic acid methyl ester can be summarized as: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 184.03; (6)ACD/BCF (pH 7.4): 184.03; (7)ACD/KOC (pH 5.5): 1454.82; (8)ACD/KOC (pH 7.4): 1454.82; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 54.79 cm³; (15)Molar Volume: 170.3 cm³; (16)Polarizability: 21.72×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.546 g/cm³; (19)Flash Point: 131.1 °C; (20)Enthalpy of Vaporization: 53.28 kJ/mol; (21)Boiling Point: 293.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00175 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:COC(=O)Cc1ccc(cc1Br)Cl
InChI:InChI=1/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
InChIKey:LRGRTSYKKXHITJ-UHFFFAOYAV
Std. InChI:InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
Std. InChIKey:LRGRTSYKKXHITJ-UHFFFAOYSA-N

Product Name

2'-Bromo-4-chlorophenylacetic acid methyl ester

2'-Bromo-4-chlorophenylacetic acid methyl ester Specification

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