5-Bromonaphthalene-1-carboxylic acid supplier

Name
5-bromonaphthalene-1-carboxylic acid
EINECS
CAS No. 16726-67-3
Article Data23
CAS DataBase
Density 1.648 g/cm³
Solubility
Melting Point 261°C
Formula C₁₁H₇BrO₂
Boiling Point 421.2 °C at 760 mmHg
Molecular Weight 251.079
Flash Point 208.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Naphthoicacid, 5-bromo- (6CI,7CI,8CI);5-Bromo-1-naphthalenecarboxylic acid;5-Bromo-1-naphthoic acid;5-Bromo-1-naphthylcarboxylic acid;1-naphthalenecarboxylic acid, 5-bromo-;
PSA 37.30000
LogP 3.30050

5-Bromonaphthalene-1-carboxylic acid Specification

The 5-Bromonaphthalene-1-carboxylic acid, with the CAS registry number 16726-67-3, is also called 5-bromo-1-naphthoic acid. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C₁₁H₇BrO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 5.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.49; (8)ACD/KOC (pH 7.4): 2.58; (9)#H bond acceptors: 2#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 58.71 cm³; (14)Molar Volume: 152.2 cm³; (15)Polarizability: 23.27×10^-24cm³; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.648 g/cm³; (18)Flash Point: 208.5 °C; (19)Enthalpy of Vaporization: 71.18 kJ/mol; (20)Boiling Point: 421.2 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cccc2c1cccc2Br
(2)InChI: InChI=1/C11H7BrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)
(3)InChIKey: SZFXXNVLSUTKJF-UHFFFAOYAT

Product Name

5-bromonaphthalene-1-carboxylic acid

5-Bromonaphthalene-1-carboxylic acid Specification

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