Cas no 42413-59-2 (1-(4-Chlorophenyl)-1-phenylacetone)
42413-59-2 structure
Product Name:1-(4-Chlorophenyl)-1-phenylacetone
CAS No:42413-59-2
MF:C15H13ClO
MW:244.716123342514
CID:55562
PubChem ID:5743478
Update Time:2025-04-18
1-(4-Chlorophenyl)-1-phenylacetone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Chlorophenyl)-1-phenylacetone
- 1-(4-Chlorophenyl)-1-phenylpropan-2-one
- 1-PHENYL-1-P-CHLORO PHENYL ACETONE
- EINECS 255-813-5
- DTXSID10962463
- 42413-59-2
- NS00057308
-
- Inchi： 1S/C15H13ClO/c1-11(17)15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3
- InChI Key： HPHDIGRPTJQBIS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C(C)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 244.06500
- Monoisotopic Mass: 244.065493
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3.9
Experimental Properties
- Density: 1.156
- Boiling Point: 341.4°Cat760mmHg
- Flash Point: 198.5°C
- Refractive Index: 1.573
- PSA: 17.07000
- LogP: 4.06090
1-(4-Chlorophenyl)-1-phenylacetone Customs Data
- HS CODE：2914700090
- Customs Data：
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
1-(4-Chlorophenyl)-1-phenylacetone Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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