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21852-50-6

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Basic Information
CAS No.: 21852-50-6
Name: 5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE
Article Data: 41
Molecular Structure:
Molecular Structure of 21852-50-6 (5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE)
Formula: C10H13BrO3
Molecular Weight: 261.115
Synonyms: Toluene, a-bromo-3,4,5-trimethoxy-(7CI,8CI);1-(Bromomethyl)-3,4,5-trimethoxybenzene;3,4,5-Trimethoxybenzylbromide;5-(Bromomethyl)-1,2,3-trimethoxybenzene;
Density: 1.367 g/cm3
Melting Point: 74-75 °C
Boiling Point: 306.509 °C at 760 mmHg
Flash Point: 123.34 °C
PSA: 27.69000
LogP: 2.60730
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Specification

The Benzene,5-(bromomethyl)-1,2,3-trimethoxy- is an organic compound with the formula C10H13BrO3. The IUPAC name of this chemical is 5-(bromomethyl)-1,2,3-trimethoxybenzene. With the CAS registry number 21852-50-6, it is also named as 5-(Brommethyl)-1,2,3-trimethoxybenzol.

Physical properties about Benzene,5-(bromomethyl)-1,2,3-trimethoxy- are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 36; (5)ACD/BCF (pH 7.4): 36; (6)ACD/KOC (pH 5.5): 457; (7)ACD/KOC (pH 7.4): 457; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 27.69 Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 58.937 cm3; (13)Molar Volume: 190.933 cm3; (14)Polarizability: 23.364×10-24cm3; (15)Surface Tension: 35.554 dyne/cm; (16)Density: 1.368 g/cm3; (17)Flash Point: 123.34 °C; (18)Enthalpy of Vaporization: 52.519 kJ/mol; (19)Boiling Point: 306.509 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C10H13BrO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
(3)InChIKey: QEGDRYOJTONTLO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H13BrO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
(5)Std. InChIKey: QEGDRYOJTONTLO-UHFFFAOYSA-N