Cas no 597-33-1 (3-Chloro-2-methyl-1,2-propanediol)
597-33-1 structure
Product Name:3-Chloro-2-methyl-1,2-propanediol
3-Chloro-2-methyl-1,2-propanediol Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-2-methyl-1,2-propanediol
- 3-chloro-2-methylpropane-1,2-diol
- (+-)-3-Chlor-2-methyl-propan-1,2-diol
- 1,2-Propanediol,3-chloro-2-methyl
- 1-Chlor-2-methyl-propan-2,3-diol
- 1-Chlor-2-methyl-propandiol-(2,3)
- 1-Chloro-2-methyl-propandiol-2.3
- 3-chloro-2-methyl-propane-1,2-diol
- Chloro-1-methyl-2-propandiol-2,3
- EINECS 209-897-5
- 597-33-1
- NSC3711
- 4-01-00-02536 (Beilstein Handbook Reference)
- BRN 1733799
- NSC 3711
- NSC-3711
- AKOS006382779
- DTXSID901299746
- SCHEMBL5310441
- 1,2-Propanediol, 3-chloro-2-methyl-
- NS00043245
- AVVXLRRTQZKHSP-UHFFFAOYSA-N
-
- Inchi： 1S/C4H9ClO2/c1-4(7,2-5)3-6/h6-7H,2-3H2,1H3
- InChI Key： AVVXLRRTQZKHSP-UHFFFAOYSA-N
- SMILES： ClCC(C)(CO)O
Computed Properties
- Exact Mass: 124.02900
- Monoisotopic Mass: 124.029107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 57.7
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.3
- Topological Polar Surface Area: 40.5
Experimental Properties
- Density: 1.2362
- Boiling Point: 157.3°C (rough estimate)
- Flash Point: 109.1°C
- Refractive Index: 1.4748 (estimate)
- PSA: 40.46000
- LogP: -0.03150
3-Chloro-2-methyl-1,2-propanediol Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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