CAS No.139102-34-4,METHYL 4-BROMO-2-METHOXYBENZOATE 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139102-34-4
Name:	METHYL 4-BROMO-2-METHOXYBENZOATE 98
Article Data:	13

Formula:	C₉H₉BrO₃
Molecular Weight:	245.073
Synonyms:	4-Bromo-2-methoxybenzoicacid methyl ester;
Density:	1.463 g/cm³
Melting Point:	33 °C(lit.)
Boiling Point:	304.04 °C at 760 mmHg
Flash Point:	137.679 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
Transport Information:	UN 2811 6.1/PG 3
PSA:	35.53000
LogP:	2.24430

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Specification

This chemical is called Methyl 4-bromo-2-methoxybenzoate, and its CAS registry number is 139102-34-4. With the molecular formula of C₉H₉BrO₃, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; C8 to C9; Carbonyl.

Other characteristics of the Methyl 4-bromo-2-methoxybenzoate can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 916; (8)ACD/KOC (pH 7.4): 916; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 52.395 cm³; (15)Molar Volume: 167.513 cm³; (16)Polarizability: 20.771×10^-24cm³; (17)Surface Tension: 39.251 dyne/cm; (18)Density: 1.463 g/cm³; (19)Flash Point: 137.679 °C; (20)Enthalpy of Vaporization: 54.438 kJ/mol; (21)Boiling Point: 304.04 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccc(Br)cc1OC
2.InChI: InChI=1/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
3.InChIKey: WPGAGRPPDYAZAD-UHFFFAOYAA