1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone supplier

Name
1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
EINECS 279-251-5
CAS No. 79752-03-7
Article Data2
CAS DataBase
Density 1.295 g/cm³
Solubility 42.3mg/L
Melting Point ≥145℃
Formula C₁₆H₁₄N₂O₃
Boiling Point 524.6 °C at 760 mmHg
Molecular Weight 282.299
Flash Point 271.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-Dibenz[b,f]azepine,5-acetyl-10,11-dihydro-3-nitro- (7CI,9CI);1-(3-nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone;
PSA 66.13000
LogP 3.96620

1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone Specification

The Ethanone,1-(10,11-dihydro-3-nitro-5H-dibenz[b,f]azepin-5-yl)-, with CAS registry number 79752-03-7, belongs to the following product category: API intermediates. It has the systematic name of 1-(3-nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone. What's more, its EINECS is 279-251-5.

Physical properties of Ethanone,1-(10,11-dihydro-3-nitro-5H-dibenz[b,f]azepin-5-yl)-: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.56; (6)ACD/BCF (pH 7.4): 85.56; (7)ACD/KOC (pH 5.5): 840.9; (8)ACD/KOC (pH 7.4): 840.9; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 77.72 cm³; (15)Molar Volume: 217.9 cm³; (16)Polarizability: 30.81×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Enthalpy of Vaporization: 79.86 kJ/mol; (19)Vapour Pressure: 4.22E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc3c(c1)N(c2ccccc2CC3)C(=O)C
(2)InChI: InChI=1/C16H14N2O3/c1-11(19)17-15-5-3-2-4-12(15)6-7-13-8-9-14(18(20)21)10-16(13)17/h2-5,8-10H,6-7H2,1H3
(3)InChIKey: LZEJPLZDYOQHSM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H14N2O3/c1-11(19)17-15-5-3-2-4-12(15)6-7-13-8-9-14(18(20)21)10-16(13)17/h2-5,8-10H,6-7H2,1H3
(5)Std. InChIKey: LZEJPLZDYOQHSM-UHFFFAOYSA-N

Product Name

1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone

1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone Specification

Related Products

Hot Products