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| Name |
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate |
EINECS | N/A |
| CAS No. | 130-83-6 | Density | g/cm3 |
| PSA | 90.81000 | LogP | 2.86450 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H17N•H3O4P | Boiling Point | 364.5°Cat760mmHg |
| Molecular Weight | 333.35 | Flash Point | 157.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. See also ALLYL COMPOUNDS and PHOSPHATES. When heated to decomposition it yields highly toxic fumes of POx and NOx. An anti-adrenergic agent. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate |
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate Chemical Properties
Molecule structure of 6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate (CAS NO.130-83-6) :
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IUPAC Name: phosphoric acid; 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
Molecular Weight: 333.318761 g/mol
Molecular Formula: C17H20NO4P
Boiling Point: 364.5 °C at 760 mmHg
Flash Point: 157.1 °C
Enthalpy of Vaporization: 61.07 kJ/mol
Vapour Pressure: 1.67E-05 mmHg at 25 °C
EINECS: 204-997-5
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 333.112995
MonoIsotopic Mass: 333.112995
Topological Polar Surface Area: 81
Heavy Atom Count: 23
Complexity: 311
Canonical SMILES: C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1.OP(=O)(O)O
InChI: InChI=1S/C17H17N.H3O4P/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18;1-5(2,3)4/h2-10H,1,11-13H2;(H3,1,2,3,4)
InChIKey: SRNXLNNBIYZIHB-UHFFFAOYSA-N
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate Toxicity Data With Reference
| 1. | skn-hmn 2%/48H | CODEDG Contact Dermatitis. Environmental and Occupational Dermatitis. 2 (1976),183. | ||
| 2. | ipr-mus LD50:270 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),338. |
| dog | LD50 | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 14, 1952. |
| mouse | LD50 | intramuscular | 600mg/kg (600mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
| mouse | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
| mouse | LD50 | intravenous | 26mg/kg (26mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
| mouse | LD50 | oral | 460mg/kg (460mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
| mouse | LD50 | subcutaneous | 725mg/kg (725mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
| rabbit | LD50 | intravenous | 27mg/kg (27mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. |
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate Consensus Reports
Reported in EPA TSCA Inventory.
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate Safety Profile
Poison by intraperitoneal route. See also ALLYL COMPOUNDS and PHOSPHATES. When heated to decomposition it yields highly toxic fumes of POx and NOx. An anti-adrenergic agent.
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate Specification
6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate (CAS NO.130-83-6) is also called 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-, phosphate (1:1) ; 6,7-Dihydro-6-(2-propenyl)-5H-dibenz(c,e)azepine phosphate ; 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepin-dihydrogenphosphat ; Azapetine phosphate ; Azephine .6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate (CAS NO.130-83-6) is high toxic. It is flammable. It will produce toxic nitrogen oxide and phosphorus oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 6-Allyl-6,7-dihydro-5H-dibenz(c,e)-azepine phosphate (CAS NO.130-83-6) separate from raw materials of food.
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