CAS No.56893-25-5,4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56893-25-5
Name:	4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER
Article Data:	49

Formula:	C₁₀H₉BrO₃
Molecular Weight:	257.084
Synonyms:	Benzoicacid, 4-(bromoacetyl)-, methyl ester (9CI);4-(2-Bromoacetyl)benzoic acidmethyl ester;Methyl 4-(bromoacetyl)benzoate;Methyl p-(bromoacetyl)benzoate;a-Bromo-4-(carbomethoxy)acetophenone;w-Bromoacetophenone-4-carboxylicacid methyl ester;
Density:	1.494 g/cm³
Boiling Point:	342.783 °C at 760 mmHg
Flash Point:	161.11 °C
PSA:	43.37000
LogP:	2.05080

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Specification

The CAS register number of Methyl 4-(2-bromoacetyl)benzoate is 56893-25-5. It also can be called as 4-(2-Bromoacetyl)benzoic acid methyl ester and the IUPAC name about this chemical is methyl 4-(2-bromoacetyl)benzoate. The molecular formula about this chemical is C₁₀H₉BrO₃and the molecular weight is 257.08.

Physical properties about Methyl 4-(2-bromoacetyl)benzoate are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 55; (5)ACD/BCF (pH 7.4): 55; (6)ACD/KOC (pH 5.5): 616; (7)ACD/KOC (pH 7.4): 616; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 55.786 cm³; (13)Molar Volume: 172.038 cm³; (14)Polarizability: 22.115x10^-24cm³; (15)Surface Tension: 46.58 dyne/cm; (16)Flash Point: 161.11 °C; (17)Enthalpy of Vaporization: 58.658 kJ/mol; (18)Boiling Point: 342.783 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)C(=O)CBr
(2)InChI: InChI=1/C10H9BrO3/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11/h2-5H,6H2,1H3
(3)InChIKey: CHEPDPSMYKFNAN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H9BrO3/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11/h2-5H,6H2,1H3
(5)Std. InChIKey: CHEPDPSMYKFNAN-UHFFFAOYSA-N