Cas no 23853-76-1 (Benzene,1-chloro-4-(3-methyl-2-buten-1-yl)-)
23853-76-1 structure
Product Name:Benzene,1-chloro-4-(3-methyl-2-buten-1-yl)-
CAS No:23853-76-1
MF:C11H13Cl
MW:180.673922300339
CID:272441
PubChem ID:316460
Update Time:2025-04-19
Benzene,1-chloro-4-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-chloro-4-(3-methyl-2-buten-1-yl)-
- 1-chloro-4-(3-methylbut-2-enyl)benzene
- 23853-76-1
- QFDYBUSTOKLHBI-UHFFFAOYSA-N
- NSC244453
- SCHEMBL11052769
- p-chloroprenylbenzene
- NSC-244453
- DTXSID50311638
-
- Inchi： 1S/C11H13Cl/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3,5-8H,4H2,1-2H3
- InChI Key： QFDYBUSTOKLHBI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C/C=C(\C)/C
Computed Properties
- Exact Mass: 180.07069
- Monoisotopic Mass: 180.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 148
- 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: 4.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.019
- Boiling Point: 237.4°C at 760 mmHg
- Flash Point: 98.4°C
- Refractive Index: 1.527
- PSA: 0
- LogP: 3.84870
Benzene,1-chloro-4-(3-methyl-2-buten-1-yl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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