CAS No.80480-15-5,1-(Bromoacetyl)pyrene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	80480-15-5
Name:	1-(Bromoacetyl)pyrene
Article Data:	8

Formula:	C₁₈H₁₁BrO
Molecular Weight:	323.189
Synonyms:	1-Bromoacetylpyrene;
Density:	1.563 g/cm³
Melting Point:	129-131 °C(lit.)
Boiling Point:	476.7 °C at 760 mmHg
Flash Point:	109.3 °C
Appearance:	YELLOW TO ORANGE TO BROWN POWDER, CRYSTALS
Hazard Symbols:	C
Risk Codes:	34
Safety:	22-26-36/37/39-45
PSA:	17.07000
LogP:	5.16160

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Specification

The Ethanone,2-bromo-1-(1-pyrenyl)- is an organic compound with the formula C₁₈H₁₁BrO. The systematic name of this chemical is 2-bromo-1-(pyren-1-yl)ethanone. With the CAS registry number 80480-15-5, it is also named as 1-bromoacetylpyrene. The product's categories are C15 to C38; Carbonyl Compounds; Ketones.

Physical properties about Ethanone,2-bromo-1-(1-pyrenyl)- are: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4770.52; (6)ACD/BCF (pH 7.4): 4770.52; (7)ACD/KOC (pH 5.5): 14952.36; (8)ACD/KOC (pH 7.4): 14952.36; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.823; (13)Molar Refractivity: 90.22 cm³; (14)Molar Volume: 206.6 cm³; (15)Polarizability: 35.76×10^-24cm³; (16)Surface Tension: 65 dyne/cm; (17)Density: 1.563 g/cm³; (18)Flash Point: 109.3 °C; (19)Enthalpy of Vaporization: 74.05 kJ/mol; (20)Boiling Point: 476.7 °C at 760 mmHg; (21)Vapour Pressure: 2.98E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-pyren-1-yl-ethanone. This reaction will need reagent Br₂. The yield is about 57%.

Uses of Ethanone,2-bromo-1-(1-pyrenyl)-: it can be used to produce 3,4-Dihydrocyclopenta (cd) pyren-3-on. It will need solvent CCl₄ with reaction time of 3 hours. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c4ccc2ccc1cccc3c1c2c4cc3
(2)InChI: InChI=1/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2
(3)InChIKey: KAEDEGFCOPIKKM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2
(5)Std. InChIKey: KAEDEGFCOPIKKM-UHFFFAOYSA-N