Cas no 36433-51-9 ( )
structure
Product Name:
CAS No:36433-51-9
MF:C9H11ClO
MW:170.636041879654
CID:921334
PubChem ID:262102
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-chloro-2,3,6-trimethyl-
- NSC95426
- 2,3,6-trimethyl-4-chlorophenol
- SCHEMBL6379560
- 4-chloro-2,3,6-trimethylphenol
- XNQJHONAJJVDKU-UHFFFAOYSA-N
- 36433-51-9
- DTXSID00294240
- NSC-95426
-
-
- Inchi： 1S/C9H11ClO/c1-5-4-8(10)6(2)7(3)9(5)11/h4,11H,1-3H3
- InChI Key： XNQJHONAJJVDKU-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=C(C(C)=C1C)O
Computed Properties
- Exact Mass: 170.04993
- Monoisotopic Mass: 170.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 138
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.148
- Boiling Point: 266.3°Cat760mmHg
- Flash Point: 114.9°C
- PSA: 20.23
Related Literature
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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