Cas no 13370-48-4 (Aceticacid, 2-(4-chloro-2,5-dimethylphenoxy)-)
13370-48-4 structure
Product Name:Aceticacid, 2-(4-chloro-2,5-dimethylphenoxy)-
CAS No:13370-48-4
MF:C10H11ClO3
MW:214.645542383194
CID:200158
PubChem ID:83386
Update Time:2025-04-19
Aceticacid, 2-(4-chloro-2,5-dimethylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Aceticacid, 2-(4-chloro-2,5-dimethylphenoxy)-
- (4-chloro-2,5-dimethylphenoxy)acetic acid
- 2-(4-chloro-2,5-dimethylphenoxy)acetic acid
- (4-Chlor-2,5-dimethyl-phenoxy)-essigsaeure
- AC1L35C3
- AG-D-68797
- CTK0I0642
- EINECS 236-440-7
- KB-208019
- NSC517423
- DTXSID80158336
- (4-Chloro-2,5-dimethyl-phenoxy)-acetic acid
- NSC-517423
- NS00024303
- 13370-48-4
- NSC 517423
- 2-(4-chloro-2,5-dimethylphenoxy)aceticacid
-
- Inchi： 1S/C10H11ClO3/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)
- InChI Key： FYSOXVMOZFIWIU-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=C(C=C1C)OCC(=O)O
Computed Properties
- Exact Mass: 214.03973
- Monoisotopic Mass: 214.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 46.5A^2
- XLogP3: 2.8
Experimental Properties
- Density: 1.269
- Boiling Point: 345.1°Cat760mmHg
- Flash Point: 162.5°C
- PSA: 46.53
Aceticacid, 2-(4-chloro-2,5-dimethylphenoxy)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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