Basic information
- CAS
4163-80-8- Standard SMILES
CS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl- InChIKey
BLRLBBXZXPUHIH-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O2S
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 257.907584
Names & identifiers
- Preferred name
- Methyl 2,4,5-trichlorophenyl sulfone
- IUPAC
- 1,2,4-trichloro-5-methylsulfonylbenzene
- English name
- 1,2,4-trichloro-5-methylsulfonyl-benzene
- Molecular formula
- C7H5Cl3O2S
- Molecular weight
- 259.54
Names & synonyms
4163-80-8METHYL 2,4,5-TRICHLOROPHENYL SULFONEARV6UUL1COUNII-ARV6UUL1COSulfone, methyl 2,4,5-trichlorophenylBenzene, 1,2,4-trichloro-5-(methylsulfonyl)-DTXSID10194444RefChem:157214DTXCID201169351,2,4-TRICHLORO-5-METHYLSULFONYL-BENZENE1,2,4-Trichloro-5-(methylsulfonyl)benzene2,4,5-Trichlorophenyl methyl sulfone
Show more names
1,2,4-trichloro-5-methylsulfonylbenzeneSCHEMBL15461575BLRLBBXZXPUHIH-UHFFFAOYSA-NSBB1022132,4,5-trichloro-1-(methylsulfonyl)benzene1,2,4-Trichloro-5-(methanesulfonyl)benzene1,2,4-Trichloro-5-(methylsulfonyl)benzene #AO-801/41077567
Database identifiers
- CAS
4163-80-8- PubChem CID
- 20115
- DTXSID
DTXSID10194444- UNII
- ARV6UUL1CO
- Nikkaji
- J586.941B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 126 · 126-127 °C(Solv: ethanol (64-17-5))
- Boiling point
- 399.1 · 399.1±42.0 °C(Predicted)
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- FDA UNII
- 6 UUL1CO · ARV6UUL1CO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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