Cas no 71526-83-5 (1-Butanone,4-chloro-1-(4-ethylphenyl)-)
71526-83-5 structure
Product Name:1-Butanone,4-chloro-1-(4-ethylphenyl)-
CAS No:71526-83-5
MF:C12H15ClO
MW:210.699902772903
CID:572360
PubChem ID:98743
Update Time:2025-04-19
1-Butanone,4-chloro-1-(4-ethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone,4-chloro-1-(4-ethylphenyl)-
- 4-chloro-1-(4-ethylphenyl)butan-1-one
- 4-chloro-4'-ethylbutyrophenone
- 4-CHLORO-1-(4-ETHYLPHENYL)-1-BUTANONE
- 4-Chloro-1-(4-ethyl-phenyl)-butan-1-one
- AC1L40E4
- AC1Q3UJZ
- AG-G-80377
- CTK5D4513
- NSC163134
- SureCN3689140
- PTKKOYFXSPTUGB-UHFFFAOYSA-N
- NSC-163134
- SCHEMBL3689140
- 71526-83-5
- NS00037240
- NSC 163134
- EINECS 275-597-6
- AKOS000346089
- DTXSID90221767
- 3-chloropropyl 4-ethylphenyl ketone
-
- Inchi： 1S/C12H15ClO/c1-2-10-5-7-11(8-6-10)12(14)4-3-9-13/h5-8H,2-4,9H2,1H3
- InChI Key： PTKKOYFXSPTUGB-UHFFFAOYSA-N
- SMILES： ClCCCC(C1C=CC(=CC=1)CC)=O
Computed Properties
- Exact Mass: 210.08125
- Monoisotopic Mass: 210.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.063
- Boiling Point: 333.3°C at 760 mmHg
- Flash Point: 182.8°C
- Refractive Index: 1.516
- PSA: 17.07
- LogP: 3.45070
1-Butanone,4-chloro-1-(4-ethylphenyl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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