2-Chloro-4-methylphenol

Base Information

• Chemical Name: 2-Chloro-4-methylphenol
• CAS No.: 6640-27-3
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 29081990
• European Community (EC) Number: 229-656-8
• NSC Number: 48848
• UNII: 1J012K1LJC
• DSSTox Substance ID: DTXSID5022512
• Nikkaji Number: J27.285J
• Wikidata: Q27148865
• Mol file: 6640-27-3.mol

Synonyms:2-Chloro-4-methylphenol;6640-27-3;2-Chloro-p-cresol;Phenol, 2-chloro-4-methyl-;p-Cresol, 2-chloro-;2-cholor-4-methyl-phenol;2-Chloro-4-methyl-phenol;UNII-1J012K1LJC;1J012K1LJC;EINECS 229-656-8;NSC 48848;NSC-48848;2-chloranyl-4-methyl-phenol;BIDD:ER0189;SCHEMBL169725;DTXSID5022512;2-Chloro-4-methylphenol, 97%;CHEBI:79732;3-CHLORO-4-HYDROXYTOLUENE;NSC48848;MFCD00070639;AKOS005288297;CS-W004089;DS-0905;TS-01854;A8961;AM20060392;C2005;FT-0611784;EN300-64815;A835453;Q27148865;Z384970658

Chemical Property of 2-Chloro-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.298mmHg at 25°C
• Melting Point: 193-195 °C
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 195.5 °C at 760 mmHg
• PKA: 8.79±0.18(Predicted)
• Flash Point: 86.1 °C
• PSA: 20.23000
• Density: 1.228 g/cm³
• LogP: 2.35400
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.0185425
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)Cl
• Uses: 2-Chloro-4-methylphenol is one of eleven estrogenic and odorous chloro- compounds found in surface water.

Technology Process of 2-Chloro-4-methylphenol

There total 26 articles about 2-Chloro-4-methylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

carbonic acid 2-chloro-4-methyl-phenyl ester 2,2,2-trichloro-ethyl ester → 2-chloro-p-cresol (6640-27-3)

Guidance literature:

With indium; water; ammonium chloride; In methanol; for 1.5h; Heating;

DOI:10.1016/S0040-4039(01)01489-7

Reference yield: 82.0%

trichloro-acetic acid 2-chloro-4-methyl-phenyl ester → 2-chloro-p-cresol (6640-27-3)

Guidance literature:

With indium; water; ammonium chloride; In methanol; for 1h; Heating;

DOI:10.1016/S0040-4039(01)01489-7

Reference yield: 78.0%

p-cresol (106-44-5) → 2-chloro-p-cresol (6640-27-3)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In water; at 45 ℃; for 4h;

DOI:10.1021/op980083s

upstream raw materials:

p-cresol

1-ethoxy-4-methylbenzene

sodium 4-methylphenoxide

2-chloro-4-methyl-benzenamine

Downstream raw materials:

2-chloro-4-methyl-6-(2-nitro-phenylsulfanyl)-phenol

4-methyl-2-chlorophenoxyacetic acid

phenyl-acetic acid-(2-chloro-4-methyl-phenyl ester)

O-2-Chlor-4-methylphenyl-N-s-butylchlormethylphosphon-amidothioat

Refernces

• 1、 Wang, Bowei,Gao, Ruixiao,Zhang, Dan,Zeng, Yuyao,Zhang, Fangying,Yan, Xilong,Li, Yang,Chen, Ligong. "Ceria-promoted Co@NC catalyst for biofuel upgrade: synergy between ceria and cobalt species". supporting information. p. 8541 - 8553. Retrieved 2021/04/12.
• 2、 Rajanna,Rao, A. Sambashiva,Chakravarthi,Reddy, K. Rajendar. "Rate enhancements due to ultrasound in isoquinolinium dichromate and isoquinolinium chlorochromate catalyzed chlorination of aromatic compounds in presence of KHSO4/KCl". . p. 167 - 170. Retrieved 2017/12/26.