Cas no 616-19-3 (propane, 1,3-dichloro-2-methyl-)
616-19-3 structure
Product Name:propane, 1,3-dichloro-2-methyl-
CAS No:616-19-3
MF:C4H8Cl2
MW:127.012319564819
CID:864105
Update Time:2026-04-29
propane, 1,3-dichloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- propane, 1,3-dichloro-2-methyl-
- 1,3-dichloro-2-methylpropane
- 1,3-Dichloroisobutane
-
- Inchi： InChI=1S/C4H8Cl2/c1-4(2-5)3-6/h4H,2-3H2,1H3
- InChI Key： VENSUTAUIFXSRD-UHFFFAOYSA-N
- SMILES： CC(CCl)CCl
Computed Properties
- Exact Mass: 126.00044
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
Experimental Properties
- Density: 1.1000
- Melting Point: -70.34°C (estimate)
- Boiling Point: 122.28°C (estimate)
- Refractive Index: 1.4400
- PSA: 0
propane, 1,3-dichloro-2-methyl- Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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