Product Name

  • Name

    6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate

  • EINECS
  • CAS No. 130-83-6
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C17H17N•H3O4P
  • Boiling Point 364.5°Cat760mmHg
  • Molecular Weight 333.35
  • Flash Point 157.1°C
  • Transport Information
  • Appearance
  • 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
  • Molecular Structure Molecular Structure of 130-83-6 (6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate)
  • Hazard Symbols
  • Synonyms 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate
  • PSA 90.81000
  • LogP 2.86450

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) :

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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