Cas no 6627-94-7 (Phenol,4-chloro-2,3,5-trimethyl-)
6627-94-7 structure
Product Name:Phenol,4-chloro-2,3,5-trimethyl-
CAS No:6627-94-7
MF:C9H11ClO
MW:170.636041879654
CID:502999
PubChem ID:246772
Update Time:2025-04-19
Phenol,4-chloro-2,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-chloro-2,3,5-trimethyl-
- 4-Chlor-2,3,5-trimethylphenol
- 4-Chlor-2,3,5-trimethyl-phenol
- 4-Chlor-2,3,6-trimethyl-phenol
- 4-chloro-2,3,5,6-tetrafluorothiophenol
- 4-chloro-2,3,5-trimethylphenol
- 4-chloro-2,3,5-trimethyl-phenol
- 4-chloro-tetrafluorothiophenol
- 4-Chlorotetrafluorothiophenol
- 4-Chlor-tetrafluorthiophenol
- AC1MC63S
- AG-D-74086
- CTK4C0261
- PubChem2865
- SBB016980
- NSC 60264
- DTXSID30984804
- NSC60264
- AKOS006346005
- SCHEMBL8650668
- 6627-94-7
- NSC-60264
-
- Inchi: 1S/C9H11ClO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
- InChI Key: LXBONPACIOPBAZ-UHFFFAOYSA-N
- SMILES: ClC1=C(C)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±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 103-104 oC (ligroine )
- Boiling Point: 270.9±35.0 oC (760 Torr),
- Flash Point: 117.6±25.9 oC,
- Refractive Index: 1.552
- Solubility: Very slightly soluble (0.26 g/l) (25 o C),
- PSA: 20.23
Phenol,4-chloro-2,3,5-trimethyl- Related Literature
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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
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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