N-6-(3,4-Benzocoumarinyl)acetamide supplier

Name
DIBENZO[B,D]PYRAN-6-ONE,2-ACETAMIDO-
EINECS
CAS No. 5096-19-5
Article Data1
CAS DataBase
Density 1.356g/cm³
Solubility
Melting Point
Formula C15H11 N O3
Boiling Point 520.1°Cat760mmHg
Molecular Weight 253.257
Flash Point 268.4°C
Transport Information
Appearance
Safety Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits very toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Biphenylcarboxylicacid, 5'-acetamido-2'-hydroxy-, d-lactone (6CI); 6H-Dibenzo[b,d]pyran, acetamide deriv.; NSC 67721
PSA 59.31000
LogP 2.97760

N-6-(3,4-Benzocoumarinyl)acetamide Chemical Properties

Molecule structure of N-6-(3,4-Benzocoumarinyl)acetamide (CAS NO.5096-19-5):

IUPAC Name: N-(6-Oxobenzo[c]isochromen-2-yl)acetamide
Molecular Weight: 253.25274 g/mol
Molecular Formula: C₁₅H₁₁NO₃
Density: 1.356 g/cm³
Boiling Point: 520.1 °C at 760 mmHg
Flash Point: 268.4 °C
Index of Refraction: 1.67
Molar Refractivity: 69.8 cm³
Molar Volume: 186.6 cm³
Polarizability: 27.67×10^-24 cm³
Surface Tension: 60.9 dyne/cm
Enthalpy of Vaporization: 79.31 kJ/mol
Vapour Pressure: 6.4E-11 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 253.073893
MonoIsotopic Mass: 253.073893
Topological Polar Surface Area: 55.4
Heavy Atom Count: 19
Complexity: 382
Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32
InChI: InChI=1S/C15H11NO3/c1-9(17)16-10-6-7-14-13(8-10)11-4-2-3-5-12(11)15(18)19-14/h2-8H,1H3,(H,16,17)
InChIKey of N-6-(3,4-Benzocoumarinyl)acetamide (CAS NO.5096-19-5): RCYCXZHAYRTYPO-UHFFFAOYSA-N

N-6-(3,4-Benzocoumarinyl)acetamide Safety Profile

Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits very toxic fumes of NO_x.

N-6-(3,4-Benzocoumarinyl)acetamide Specification

N-6-(3,4-Benzocoumarinyl)acetamide (CAS NO.5096-19-5) is also named as 4-18-00-07966 (Beilstein Handbook Reference) ; 6H-Dibenzo(b,d)pyran-6-one, 2-acetamido- ; BRN 0230597 ; N-(6-Oxo-6H-dibenzo(b,d)pyran-1-yl)acetamide ; NSC 67721 ; Acetamide, N-(6-oxo-6H-dibenzo(b,d)pyran-2-yl)- (8CI)(9CI) . N-6-(3,4-Benzocoumarinyl)acetamide (CAS NO.5096-19-5) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

Product Name

DIBENZO[B,D]PYRAN-6-ONE,2-ACETAMIDO-

N-6-(3,4-Benzocoumarinyl)acetamide Chemical Properties

N-6-(3,4-Benzocoumarinyl)acetamide Safety Profile

N-6-(3,4-Benzocoumarinyl)acetamide Specification

Related Products

Hot Products