3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride
Basic information
- CAS
501697-80-9- Standard SMILES
O=S(=O)(Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1- InChIKey
DHVBZUPMGVOIOH-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3O2S
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.923234
Names & identifiers
- Preferred name
- 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride
- IUPAC
- 4-(3,4-dichlorophenyl)benzenesulfonyl chloride
- English name
- 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride
- Molecular formula
- C12H7Cl3O2S
- Molecular weight
- 321.61
Names & synonyms
501697-80-93',4'-dichloro[1,1'-biphenyl]-4-sulfonyl chlorideDTXSID703833773',4'-Dichloro(1,1'-biphenyl)-4-sulfonyl chlorideRefChem:269337DTXCID30334401802-105-44-(3,4-dichlorophenyl)benzenesulfonyl Chloride3',4'-dichloro-[1,1'-biphenyl]-4-sulfonyl chloride3',4'-Dichloro-Biphenyl-4-Sulfonyl ChlorideMFCD01631920[4-(3,4-dichlorophenyl)phenyl]sulphonyl chloride
Show more names
BUTTPARK 99\57-76[1,1'-BIPHENYL]-4-SULFONYL CHLORIDE, 3',4'-DICHLORO-3′,4′-Dichloro[1,1′-biphenyl]-4-sulfonyl chloride, CAS 501697-80-9
[4-(3,4-Dichlorophenyl)phenyl]sulfonyl chlorideAR2090SCHEMBL1019304DHVBZUPMGVOIOH-UHFFFAOYSA-NSBB054994AKOS000813776AS-45268[4-(3,4-dichlorophenyl)phenyl]chlorosulfone
Database identifiers
- CAS
501697-80-9- PubChem CID
- 2794751
- DTXSID
DTXSID70383377- EC Number
- 802-105-4
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- RIDADR
- 3261 · UN3261
- HazardClass
- 8 · 8
- HS Code
- 2933599590 · 2933599590
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN3261
- hs_code
- 2933599590
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Related reactions
1 records
Compound notes
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