Cas no 69831-14-7 (Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(1R,3R)-)
69831-14-7 structure
Product Name:Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(1R,3R)-
CAS No:69831-14-7
MF:C8H9Cl3O
MW:227.515459775925
CID:391262
PubChem ID:10966240
Update Time:2025-04-19
Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(1R,3R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(1R,3R)-
- (1R,3R)-3<wbr>
- cycloprop<wbr>
- LogP
- (1R)-cis-2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl chloride
- SCHEMBL8407543
- CHLAOFANYRDCPD-NJGYIYPDSA-N
- DTXSID5074925
- Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3R)-
- 69831-14-7
-
- Inchi： 1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3/t4-,6-/m0/s1
- InChI Key： CHLAOFANYRDCPD-NJGYIYPDSA-N
- SMILES： ClC([C@@H]1[C@H](/C=C(\Cl)/Cl)C1(C)C)=O
Computed Properties
- Exact Mass: 225.97207
- Monoisotopic Mass: 225.971898g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.424
- Boiling Point: 242.353°C at 760 mmHg
- Flash Point: 98.894°C
- Refractive Index: 1.581
- PSA: 17.07
Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,(1R,3R)- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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