2-Naphthalenecarboxylicacid, 5-bromo- supplier

Name
5-BROMO-2-NAPHTHOIC ACID
EINECS
CAS No. 1013-83-8
Article Data18
CAS DataBase
Density 1.648 g/cm³
Solubility
Melting Point 270°C
Formula C₁₁H₇BrO₂
Boiling Point 387.296 °C at 760 mmHg
Molecular Weight 251.079
Flash Point 188.03 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Naphthoicacid, 5-bromo- (7CI,8CI);5-Bromo-2-naphthoic acid;5-Bromonaphthalene-2-carboxylic acid;
PSA 37.30000
LogP 3.30050

2-Naphthalenecarboxylicacid, 5-bromo- Specification

The 2-Naphthalenecarboxylicacid, 5-bromo-, with the CAS registry number 1013-83-8, is also known as 5-Bromo-2-naphthoic acid. This chemical's molecular formula is C₁₁H₇BrO₂ and formula weight is 251.0761. What's more, its systematic name is called 5-bromonaphthalene-2-carboxylic acid.

Physical properties of 2-Naphthalenecarboxylicacid, 5-bromo-: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 94; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 58.716 cm³; (14)Molar Volume: 152.264 cm³; (15)Surface Tension: 59.975 dyne/cm; (16)Density: 1.649 g/cm³; (17)Flash Point: 188.03 °C; (18)Enthalpy of Vaporization: 67.119 kJ/mol; (19)Boiling Point: 387.296 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2c(c1)cccc2Br
(2)InChI: InChI=1/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
(3)InChIKey: QPOQPJDDJJNVRY-UHFFFAOYAP

Product Name

5-BROMO-2-NAPHTHOIC ACID

2-Naphthalenecarboxylicacid, 5-bromo- Specification

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