2,1-Benzisoxazole-3-carboxylicacid supplier

Name
2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 642-91-1
Density 1.455 g/cm³
Solubility
Melting Point 185 °C
Formula C₈H₅NO₃
Boiling Point 387.3 °C at 760 mmHg
Molecular Weight 163.133
Flash Point 188 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Anthroxanicacid;Benzo[c]isoxazole-3-carboxylic acid;NSC 86917;
PSA 63.33000
LogP 1.52600

2,1-Benzisoxazole-3-carboxylicacid Specification

The 2,1-Benzisoxazole-3-carboxylicacid, with the CAS registry number 642-91-1, is also known as NSC86917. It belongs to the product category of Oxazole. This chemical's molecular formula is C₈H₅NO₃ and molecular weight is 163.1302. Its IUPAC name is called 2,1-benzoxazole-3-carboxylic acid.

Physical properties of 2,1-Benzisoxazole-3-carboxylicacid: (1)ACD/LogP: 1.20; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 41.41 cm³; (11)Molar Volume: 112 cm³; (12)Surface Tension: 67.5 dyne/cm; (13)Density: 1.455 g/cm³; (14)Flash Point: 188 °C; (15)Enthalpy of Vaporization: 67.12 kJ/mol; (16)Boiling Point: 387.3 °C at 760 mmHg; (17)Vapour Pressure: 1.08E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(ON=C2C=C1)C(=O)O
(2)InChI: InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H,(H,10,11)
(3)InChIKey: PHYDLUSJJFZNFG-UHFFFAOYSA-N

Product Name

2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID

2,1-Benzisoxazole-3-carboxylicacid Specification

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