CAS No.127168-91-6,Methyl 2,3-bis(broMoMethyl)benzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127168-91-6
Name:	Methyl 2,3-bis(broMoMethyl)benzoate
Article Data:	7

Formula:	C₁₀H₁₀Br₂O₂
Molecular Weight:	321.996
Synonyms:	Methyl 2,3-bis(bromomethyl)benzoate;
Density:	1.728 g/cm³
Boiling Point:	375.4 °C at 760 mmHg
Flash Point:	180.8 °C
PSA:	26.30000
LogP:	3.26300

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Specification

The Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester has the CAS registry number 127168-91-6. This chemical's molecular formula is C₁₀H₁₀Br₂O₂ and molecular weight is 321.99. What's more, its systematic name is methyl 2,3-bis(bromomethyl)benzoate.

Physical properties of Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 367.71; (6)ACD/BCF (pH 7.4): 367.71; (7)ACD/KOC (pH 5.5): 2387.76; (8)ACD/KOC (pH 7.4): 2387.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 63.32 cm³; (15)Molar Volume: 186.3 cm³; (16)Polarizability: 25.1×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.728 g/cm³; (19)Flash Point: 180.8 °C; (20)Enthalpy of Vaporization: 62.29 kJ/mol; (21)Boiling Point: 375.4 °C at 760 mmHg; (22)Vapour Pressure: 7.82E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cccc1CBr)C(=O)OC
(2)InChI: InChI=1S/C10H10Br2O2/c1-14-10(13)8-4-2-3-7(5-11)9(8)6-12/h2-4H,5-6H2,1H3
(3)InChIKey: AIZKAMIZWQQDNG-UHFFFAOYSA-N