3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride

Base Information

• Chemical Name: 3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride
• CAS No.: 465514-07-2
• Molecular Formula: C₁₁H₉ClN₂O₂S
• Molecular Weight: 268.724
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80381566
• Wikidata: Q82172462
• Mol file: 465514-07-2.mol

Synonyms:465514-07-2;3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride;3-(2-METHYL-4-PYRIMIDINYL)BENZENESULFONYL CHLORIDE;3-(2-methylpyrimidin-4-yl)benzenesulfonyl Chloride;3-(2-Methylpyrimidin-4-yl)benzenesulphonyl chloride;3-(2-methylpyrimidin-4-yl)benzene-1-sulfonyl chloride;SCHEMBL1020316;DTXSID80381566;BCP34428;MFCD03659718;AKOS007930889;AS-31441;BP-10991;CS-0314028;FT-0613571;4-[3-(Chlorosulphonyl)phenyl]-2-methylpyrimidine;A872253;3-(2-Methylpyrimidin-4-yl)-benzenesulfonyl chloride;J-510538;3-(2-Methyl-1,3-diazin-4-yl)benzenesulphonyl chloride;3-(2-methyl-4-pyrimidinyl)benzenesulfonyl chloride, AldrichCPR

Chemical Property of 3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 113oC
• Boiling Point: 428.063oC at 760 mmHg
• PKA: 0.61±0.31(Predicted)
• Flash Point: 212.685oC
• PSA: 68.30000
• Density: 1.384g/cm3
• LogP: 3.46030
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.0073264
• Heavy Atom Count: 17
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Methylpyrimidin-4-yl)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)Cl