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20717-79-7

Basic Information
CAS No.: 20717-79-7
Name: 1-Bromo-2-naphthoic acid
Article Data: 23
Molecular Structure:
Molecular Structure of 20717-79-7 (1-Bromo-2-naphthoic acid)
Formula: C11H7BrO2
Molecular Weight: 251.079
Synonyms: 2-Naphthoicacid, 1-bromo- (7CI,8CI);1-Bromo-2-naphthalenecarboxylic acid;1-Bromo-2-naphthoic acid;
EINECS: 243-984-9
Density: 1.648 g/cm3
Melting Point: 191 °C
Boiling Point: 372.7 °C at 760 mmHg
Flash Point: 179.2 °C
PSA: 37.30000
LogP: 3.30050
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    Molecular Formula: C11H7BrO2 Molecular Weight: 251.08 CAS Registry Number: 20717-79-7 EINECS: 243-984-9 Melting point: 191 ºC Boiling point: 372.7 ºC Refractive index: 1.697 Flash point: 179.2 ºC Appearance: White powder Stora

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    Name 1-Bromo-2-naphthoic acid CAS NO.20717-79-7 Molecular formula C11H7BrO 2 Molecular weight 251.08 The content was 98.0%. Appearance white powder Appearance:White powder Storage:keep sealed and keep from direc

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Specification

The 1-Bromo-2-naphthoic acid, with the CAS registry number 20717-79-7, is also known as 1-Bromo-2-naphthoic acid. Its EINECS registry number is 243-984-9. This chemical's molecular formula is C11H7BrO2 and molecular weight is 251.08. What's more, its systematic name and its IUPAC name are the same which is called 1-Bromonaphthalene-2-carboxylic acid.

Physical properties about 1-Bromo-2-naphthoic acid: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.84; (8)ACD/KOC (pH 7.4): 1.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 58.71 cm3; (15)Molar Volume: 152.2 cm3; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.648 g/cm3; (18)Flash Point: 179.2 °C; (19)Enthalpy of Vaporization: 65.4 kJ/mol; (20)Boiling Point: 372.7 °C at 760 mmHg; (21)Vapour Pressure: 3.24E-06 mmHg at 25 °C; (22)Melting point: 191 °C.

Preparation of 1-Bromo-2-naphthoic acid: this chemical is prepared by reaction of 1-Bromo-2-methyl-naphthalene with reagent Co(Ac)2·H2O and 2-Butanone.



The reaction occurs with solvent Acetic acid at temperature of 90-100 °C for 9 hours. The yield is 88 %.

Uses of 1-Bromo-2-naphthoic acid: it is used to produce other chemicals. For example, it is used to produce 1-Bromo-[2]naphthoic acid methyl ester.



The reaction occurs with reagent K2CO3 and solvent Acetone heating for 6 hours. The yield is 95 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccc1ccccc1c2Br
(2) InChI: InChI=1/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
(3) InChIKey: VUVIRKAVBZITDO-UHFFFAOYAT