Products Categories
| CAS No.: | 79752-03-7 |
|---|---|
| Name: | 1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H14N2O3 |
| Molecular Weight: | 282.299 |
| 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; |
| EINECS: | 279-251-5 |
| Density: | 1.295 g/cm3 |
| Melting Point: | ≥145℃ |
| Boiling Point: | 524.6 °C at 760 mmHg |
| Flash Point: | 271.1 °C |
| Solubility: | 42.3mg/L |
| PSA: | 66.13000 |
| LogP: | 3.96620 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- Total:29 Page 1 of 1 1
What can I do for you?
Get Best Price
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