CAS No.205178-80-9,2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	205178-80-9
Name:	2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE
Article Data:	4

Formula:	C₉H₈BrClO
Molecular Weight:	247.519
Synonyms:	2-Bromo-1-(4-chloro-3-methylphenyl)ethanone;2-Bromo-4'-chloro-3'-methylacetophenone;
Density:	1.524 g/cm³
Melting Point:	56 °C
Boiling Point:	312.329 °C at 760 mmHg
Flash Point:	142.692 °C
Hazard Symbols:	C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	3.22600

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Specification

The CAS register number of Ethanone,2-bromo-1-(4-chloro-3-methylphenyl)- is 205178-80-9. It also can be called as 4-Chloro-3-methylphenacyl bromide and the systematic name about this chemical is 2-bromo-1-(4-chloro-3-methylphenyl)ethanone. The molecular formula about this chemical is C₉H₈BrClO and the molecular weight is 247.52.

Physical properties about Ethanone,2-bromo-1-(4-chloro-3-methylphenyl)- are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.291; (5)ACD/BCF (pH 7.4): 118.291; (6)ACD/KOC (pH 5.5): 1060.301; (7)ACD/KOC (pH 7.4): 1060.301; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 53.733 cm³; (13)Molar Volume: 162.371 cm³; (14)Polarizability: 21.301x10^-24cm³; (15)Surface Tension: 43.966 dyne/cm; (16)Enthalpy of Vaporization: 55.332 kJ/mol; (17)Boiling Point: 312.329 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1Cl)C(=O)CBr
(2)InChI: InChI=1/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
(3)InChIKey: LUCPZLPBUCDKQE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3
(5)Std. InChIKey: LUCPZLPBUCDKQE-UHFFFAOYSA-N