Cas no 25168-05-2 (chlorotoluene)
chlorotoluene structure
Product Name:chlorotoluene
CAS No:25168-05-2
MF:C7H7Cl
MW:126.58348107338
CID:280455
Update Time:2025-12-23
chlorotoluene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, chloromethyl-
- (Chloromethyl)benzene
- Chlorotoluene, isomer mixture
- Chlortoluol (2,4-isomer)
- ar-Chlorotoluene
- Methylchlorobenzene
- chlorotoluene
-
- Inchi： 1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChI Key： IBSQPLPBRSHTTG-UHFFFAOYSA-N
- SMILES： C1(C)=CC=CC=C1Cl
Computed Properties
- Exact Mass: 126.02371
- Monoisotopic Mass: 126.023628
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 55.4
- 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: 2.3
- Topological Polar Surface Area: 0
Experimental Properties
- Density: 0.968
- Boiling Point: 173.6°Cat760mmHg
- Flash Point: 51.7°C
- Refractive Index: 1.527
- PSA: 0
chlorotoluene Security Information
- Hazardous Material transportation number：UN 2238
- HazardClass：3.2
- PackingGroup：III
- Packing Group：III
- Hazard Level：3.2
chlorotoluene Related Literature
-
Hang Yu,Zhong-Xia Wang Org. Biomol. Chem. 2021 19 9723
-
Lei Zhang,Xile Hu Chem. Sci. 2017 8 7009
-
Sophian Sahnoun,Samir Messaoudi,Jean-Daniel Brion,Mouad Alami Org. Biomol. Chem. 2009 7 4271
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Peter J. Streete,Manjit Ruprah,John D. Ramsey,Robert J. Flanagan Analyst 1992 117 1111
-
Dmitry V. Pasyukov,Maxim A. Shevchenko,Alexander V. Astakhov,Mikhail E. Minyaev,Yu Zhang,Victor M. Chernyshev,Valentine P. Ananikov Dalton Trans. 2023 52 12067
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