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2-Benzofurancarboxamide,3-amino-

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Name

2-Benzofurancarboxamide,3-amino-

EINECS N/A
CAS No. 54802-10-7 Density 1.383 g/cm3
PSA 82.25000 LogP 2.39540
Solubility N/A Melting Point 157-161 °C(lit.)
Formula C9H8N2O2 Boiling Point 370.9 °C at 760 mmHg
Molecular Weight 176.175 Flash Point 178.1 °C
Transport Information N/A Appearance N/A
Safety 37/39-45 Risk Codes 25-43
Molecular Structure Molecular Structure of 54802-10-7 (3-AMINOBENZOFURAN-2-CARBOXAMIDE  97) Hazard Symbols ToxicT
Synonyms

3-Amino-1-benzofuran-2-carboxamide;3-Aminobenzofuran-2-carboxamide;

Article Data 8

2-Benzofurancarboxamide,3-amino- Specification

The 2-Benzofurancarboxamide,3-amino-, with the CAS registry number 54802-10-7, is also known as 3-Aminobenzofuran-2-carboxamide. It belongs to the product categories of Benzofurans; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. What's more, its IUPAC name is 3-amino-1-benzofuran-2-carboxamide. It should be sealed and stored in a cool and dry place.

Physical properties of 2-Benzofurancarboxamide,3-amino- are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.3; (6)ACD/BCF (pH 7.4): 5.3; (7)ACD/KOC (pH 5.5): 114.78; (8)ACD/KOC (pH 7.4): 114.8; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.69 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 49.56 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 19.64×10-24cm3; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 178.1 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 370.9 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It may cause sensitisation by skin contact. When using it, you need wear suitable gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(O2)C(=O)N)N
(2)InChI: InChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
(3)InChIKey: FXOYSSLDDDZIJN-UHFFFAOYSA-N

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