Cas no 25451-05-2 (1,3-Propanediol,2-(4-chlorophenyl)-2-ethyl-)
25451-05-2 structure
Product Name:1,3-Propanediol,2-(4-chlorophenyl)-2-ethyl-
CAS No:25451-05-2
MF:C11H15ClO2
MW:214.688602685928
CID:261540
PubChem ID:117493
Update Time:2025-04-19
1,3-Propanediol,2-(4-chlorophenyl)-2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-(4-chlorophenyl)-2-ethyl-
- 2-(4-Chlorophenyl)-2-ethylpropane-1,3-diol
- AKOS018005695
- DTXSID00948332
- 1,3-Propanediol, 2-(p-chlorophenyl)-2-ethyl-
- 25451-05-2
- 2-(p-Chlorophenyl)-2-ethyl-1,3-propanediol
-
- Inchi： 1S/C11H15ClO2/c1-2-11(7-13,8-14)9-3-5-10(12)6-4-9/h3-6,13-14H,2,7-8H2,1H3
- InChI Key： PKVHOAMFMQZDHR-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(CO)(CO)CC
Computed Properties
- Exact Mass: 214.07615
- Monoisotopic Mass: 214.076057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 161
- 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
- Topological Polar Surface Area: 40.5
- XLogP3: 2.1
Experimental Properties
- Density: 1.195
- Boiling Point: 363.5°C at 760 mmHg
- Flash Point: 173.6°C
- Refractive Index: 1.55
- PSA: 40.46
1,3-Propanediol,2-(4-chlorophenyl)-2-ethyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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