2-Chlorophenol-3,4,5,6-d4

Base Information

• Chemical Name: 2-Chlorophenol-3,4,5,6-d4
• CAS No.: 93951-73-6
• Molecular Formula: C6HClD4O
• Molecular Weight: 132.58
• European Community (EC) Number: 687-181-5
• DSSTox Substance ID: DTXSID40109460
• Nikkaji Number: J1.221.741B
• Mol file: 93951-73-6.mol

Synonyms:2-Chlorophenol-3,4,5,6-d4;93951-73-6;2-chlorophenol-d4;2-chloro-3,4,5,6-tetradeuteriophenol;Phen-2,3,4,5-d4-ol, 6-chloro-;2-Chlorophenol D4 (3,4,5,6 D4);2-Chlorophenol D4 (3,4,5,6 D4) 100 microg/mL in Acetone;Phen-2,3,4,5-d4-ol, 6-chloro- (9CI);2-Chlorophenol D4;2-Chlorophenol (ring-D4);2-Chloro-3,4,5,6-tetradeuteriophenol;SCHEMBL12741897;DTXSID40109460;AKOS015913003;2-Chlorophenol-3,4,5,6-d4, 98 atom % D;D98026;2-Chlorophenol D4 (3,4,5,6 D4) 1000 microg/mL in Methanol

Chemical Property of 2-Chlorophenol-3,4,5,6-d4

Chemical Property:

• Melting Point: 8 °C(lit.)
• Refractive Index: n20/D 1.558(lit.)
• Boiling Point: 175 °C at 760 mmHg
• Flash Point: 63.9 °C
• PSA: 20.23000
• Density: 1.328 g/cm³
• LogP: 2.04560
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.0279995
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Chlorophenol-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N,Xn
• Hazard Codes: C,N,Xn
• Statements: 20/21-25-34-51/53-20/21/22
• Safety Statements: 26-27-36/37/39-45-61-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)O)Cl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])O)Cl)[2H])[2H]
• Uses: 2-Chlorophenol (Ring-D4, 99%) was an analyte in a study looking to optimize ultrasonic extraction for efficient detection of polycyclic aromatic hydrocarbons (PAHs) in soil.