Basic information
- Name:
Ethanone,1-(2-bromophenyl)-
- Superlist Name:
- 2'-Bromoacetophenone
- CAS No.:
2142-69-0
- Molecular Structure:
- Formula:
- C8H7BrO
- Molecular Weight:
- 199.04
- Synonyms:
- Acetophenone,2'-bromo- (7CI,8CI);1-(2-Bromophenyl)ethanone;1-Acetyl-2-bromobenzene;2-Acetylbromobenzene;2-Bromophenyl methyl ketone;NSC155380;o-Bromoacetophenone;o-Bromophenyl methyl ketone;
- EINECS:
- 218-398-1
- Density:
- 1.451 g/cm3
- Boiling Point:
- 249 °C at 760 mmHg
- Flash Point:
- 86.6 °C
- Solubility:
- practically insoluble in water
- Appearance:
- Clear pale yellow to orange liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-37/39 Details
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Specification
The Ethanone,1-(2-bromophenyl)-, with CAS registry number 2142-69-0, belongs to the following product categories: (1)Carbonyl Compounds; (2)Aromatic Acetophenones & Derivatives (substituted); (3)Benzene series; (4)Adehydes, Acetals & Ketones; (5)Bromine Compounds; (6)Acetophenone series. It has the systematic name of 1-(2-bromophenyl)ethanone. This chemical is a kind of clear pale yellow to orange liquid. What's more, its EINECS is 218-398-1.
Physical properties of Ethanone,1-(2-bromophenyl)-: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.64; (6)ACD/BCF (pH 7.4): 31.64; (7)ACD/KOC (pH 5.5): 412.57; (8)ACD/KOC (pH 7.4): 412.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 43.97 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 17.43×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Enthalpy of Vaporization: 48.62 kJ/mol; (19)Vapour Pressure: 0.0235 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(2-bromo-phenyl)-ethanol. This reaction will need reagent PCC.
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Uses of Ethanone,1-(2-bromophenyl)-: it can be used to produce 1-methyl-3H-2-benzazepine. This reaction will need reagent Pd(PPh3)4 and solvent toluene. The reaction time is 24 hour(s). The yield is about 86%.
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When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2-bromophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(c1ccccc1Br)C
(2)InChI: InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
(3)InChIKey: PIMNFNXBTGPCIL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
(5)Std. InChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-N