2-Chloro-3-Isopropyl-6-Methylphenol
- Iupac Name：2-chloro-6-methyl-3-propan-2-ylphenol
- CAS No.: 70910-29-1
- Molecular Weight：184.663
- Modify Date.: 2022-11-10 08:46
1. Names and Identifiers
- 1.1 Name
- 2-Chloro-3-Isopropyl-6-Methylphenol
- 1.2 Synonyms
06693TUP22 2-chloro-3-isopropyl-6-methylphenol 2-Chloro-6-methyl-3-(1-methylethyl)phenol 2-Chloro-6-methyl-3-(propan-2-yl)phenol 2-chloro-6-methyl-3-propan-2-ylphenol AC1MI5U0 AKOS006274323 CTK5D3162 einecs 275-015-0 OR046568 OR097696 Phenol, 2-chloro-6-methyl-3-(1-methylethyl)- unii-06693tup22 ZINC33605830
- View all
- 1.3 CAS No.
- 70910-29-1
- 1.4 CID
- 3018051
- 1.5 EINECS(EC#)
- 275-015-0
- 1.6 Molecular Formula
- C10H13ClO (isomer)
- 1.7 Inchi
- InChI=1S/C10H13ClO/c1-6(2)8-5-4-7(3)10(12)9(8)11/h4-6,12H,1-3H3
- 1.8 InChIkey
- COJGWGSVTCWAGQ-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CC1=C(C(=C(C=C1)C(C)C)Cl)O
- 1.10 Isomers Smiles
- CC1=C(C(=C(C=C1)C(C)C)Cl)O
2. Properties
- 2.1 Density
- 1.111
- 2.1 Boiling point
- 251.3°C at 760 mmHg
- 2.1 Refractive index
- 1.538
- 2.1 Flash Point
- 105.8°C
- 2.1 PSA
- 20.23000
- 2.1 logP
- 3.47740
3. Computational chemical data
- Molecular Weight: 184.663g/mol
- Molecular Formula: C10H13ClO
- Compound Is Canonicalized: True
- XLogP3-AA: 3.7
- Exact Mass: 184.0654927
- Monoisotopic Mass: 184.0654927
- Complexity: 147
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.2
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACAAADQaAmCAyBoAAAgCAAiBCAAACAAAgJEAIiAAEC4gIJiKDExKAcAAkwBEImAeAwPAOwAABIAAJCACAAAJAABIQAAAAAAAAAA==
4. Recommended Suppliers
-
- Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
- Tel:86-173-54350817
- Email:Ryan@jiutian-bio.com
5. Realated Product Infomation
skype
5YRS
