2-Benzofurancarboxylicacid, 5-chloro-3-methyl- supplier

Name
5-CHLORO-3-METHYL-1-BENZOFURAN-2-CARBOXYLIC ACID
EINECS
CAS No. 1134-00-5
Article Data7
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point
Formula C₁₀H₇ClO₃
Boiling Point 362.8 °C at 760 mmHg
Molecular Weight 210.617
Flash Point 173.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzofurancarboxylicacid, 5-chloro-3-Methyl-
PSA 50.44000
LogP 3.09280

2-Benzofurancarboxylicacid, 5-chloro-3-methyl- Specification

The 2-Benzofurancarboxylicacid, 5-chloro-3-methyl-, with the CAS registry number of 1134-00-5, is also known as 5-Chloro-3-methylbenzo[b]furan-2-carboxylic acid. This chemical's molecular formula is C₁₀H₇ClO₃ and molecular weight is 210.6138. What's more, its systematic name is 5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid.

Physical properties about 2-Benzofurancarboxylicacid, 5-chloro-3-methyl- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.63; (8)ACD/KOC (pH 7.4): 1.32; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.04 cm³; (15)Molar Volume: 147 cm³; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.431 g/cm³; (18)Flash Point: 173.2 °C; (19)Enthalpy of Vaporization: 64.23 kJ/mol; (20)Boiling Point: 362.8 °C at 760 mmHg; (21)Vapour Pressure: 6.74E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(oc(c1C)C(=O)O)cc2
(2) InChI: InChI=1/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
(3) InChIKey: QEYMIQBZTUQKAC-UHFFFAOYAA

Product Name

5-CHLORO-3-METHYL-1-BENZOFURAN-2-CARBOXYLIC ACID

2-Benzofurancarboxylicacid, 5-chloro-3-methyl- Specification

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