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CAS No.: | 10242-10-1 |
---|---|
Name: | 5-Chlorobenzofuran-2-carboxylic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H5ClO3 |
Molecular Weight: | 196.59 |
Synonyms: | 5-Chloro-1-benzofuran-2-carboxylicacid;5-Chloro-2-benzofurancarboxylic acid;5-Chlorobenzo[b]furan-2-carboxylicacid;5-Chlorocoumarilic acid; |
Density: | 1.502 g/cm3 |
Melting Point: | 275 °C (subl.) |
Boiling Point: | 348.8 °C at 760 mmHg |
Flash Point: | 164.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.44000 |
LogP: | 2.78440 |
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The 5-Chlorobenzofuran-2-carboxylic acid, with the CAS registry number 10242-10-1, is also known as 5-Chlorobenzofuran-2-carboxylic acid. This chemical's molecular formula is C9H5ClO3 and molecular weight is 196.59. What's more, its systematic name is 5-Chloro-1-benzofuran-2-carboxylic acid. If it is used and stored as specification, it will not decompose. The product should be sealed and stored in cool and dry places.
Physical properties of 5-Chlorobenzofuran-2-carboxylic acid are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.44 Å2; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 48.22 cm3; (14)Molar Volume: 130.8 cm3; (15)Polarizability: 19.11×10-24 cm3; (16)Surface Tension: 59.3 dyne/cm; (17)Density: 1.502 g/cm3; (18)Flash Point: 164.7 °C; (19)Enthalpy of Vaporization: 62.6 kJ/mol; (20)Boiling Point: 348.8 °C at 760 mmHg; (21)Vapour Pressure: 1.84E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(oc(c1)C(=O)O)cc2CopyCopied
(2)InChI: InChI=1/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: JETRXAHRPACNMA-UHFFFAOYAL