2-Bromo-1-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)ethan-1-one supplier

Name
2-BROMO-1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE
EINECS
CAS No. 35970-34-4
Article Data2
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point 73-75 °C
Formula C₁₁H₁₁BrO₃
Boiling Point 373.8 °C at 760 mmHg
Molecular Weight 271.111
Flash Point 179.8 °C
Transport Information UN 1759
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols C
Synonyms Ketone,bromomethyl 3,4-dihydro-2H-1,5-benzodioxepin-7-yl (7CI);2H-1,5-Benzodioxepin,ethanone deriv.;3,4-(Trimethylenedioxy)phenacyl bromide;
PSA 35.53000
LogP 2.42550

2-Bromo-1-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)ethan-1-one Specification

The Ethanone,2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-, with the CAS registry number 35970-34-4, has the systematic name and IUPAC name of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone. It is a kind of corrosive chemical, and the molecular formula of the chemical is C₁₁H₁₁BrO₃.

The characteristics of Ethanone,2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.79; (6)ACD/BCF (pH 7.4): 62.79; (7)ACD/KOC (pH 5.5): 673.83; (8)ACD/KOC (pH 7.4): 673.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 59.39 cm³; (15)Molar Volume: 180.7 cm³; (16)Polarizability: 23.54×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.499 g/cm³; (19)Flash Point: 179.8 °C; (20)Enthalpy of Vaporization: 62.11 kJ/mol; (21)Boiling Point: 373.8 °C at 760 mmHg; (22)Vapour Pressure: 8.76E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(=O)c2cc1OCCCOc1cc2
(2)InChI: InChI=1/C11H11BrO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6H,1,4-5,7H2
(3)InChIKey: YJSZSLGVTLSCRU-UHFFFAOYAK

Product Name

2-BROMO-1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE

2-Bromo-1-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)ethan-1-one Specification

Related Products

Hot Products