(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone

Base Information

• Chemical Name: (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone
• CAS No.: 175136-38-6
• Molecular Formula: C16H13 Br O3
• Molecular Weight: 333.18
• DSSTox Substance ID: DTXSID40352434
• Wikidata: Q82129581
• Mol file: 175136-38-6.mol

Synonyms:175136-38-6;(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone;(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanone;Methanone, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl-;(8-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)(phenyl)methanone;Maybridge1_002280;CBMicro_021551;Cambridge id 5955649;Oprea1_553689;Oprea1_567197;HMS547P14;DTXSID40352434;CCG-13437;MFCD00218835;STK375011;(8-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-phenyl-methanone;AKOS000605750;BIM-0021641.P001;CS-0357303;FT-0604850;BRD-K85052843-001-01-3

Chemical Property of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone

Chemical Property:

• Vapor Pressure: 3.2E-08mmHg at 25°C
• Melting Point: 105 °C
• Boiling Point: 448°Cat760mmHg
• Flash Point: 224.8°C
• PSA: 35.53000
• Density: 1.446g/cm³
• LogP: 3.84140
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 332.00481
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

98%min ^*data from raw suppliers

(8-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)(PHENYL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=C(C(=C2)C(=O)C3=CC=CC=C3)Br)OC1