Basic information
- CAS
51527-73-2- Standard SMILES
O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Cl- InChIKey
WHJAQKAAIOHCGN-UHFFFAOYSA-N- Molecular formula
- C6H2Cl4O2S
- Average molar mass
- 280 g/mol
- Monoisotopic mass
- 277.85296102
Names & identifiers
- Preferred name
- 2,4,6-Trichlorobenzenesulfonyl chloride
- IUPAC
- 2,4,6-trichlorobenzenesulfonyl chloride
- English name
- 2,4,6-TRICHLOROBENZENESULFONYL CHLORIDE
- Molecular formula
- C6H2Cl4O2S
- Molecular weight
- 279.96
Names & synonyms
2,4,6-Trichlorobenzenesulfonyl chloride51527-73-2DTXSID10334621RefChem:82095DTXCID20285711624-725-2WHJAQKAAIOHCGN-UHFFFAOYSA-N2,4,6-trichlorobenzene-1-sulfonyl chlorideMFCD00052973Benzenesulfonyl chloride, 2,4,6-trichloro-2,4,6-trichlorophenylsulfonyl chloride2,4,6-Trichlorobenzenesulphonyl chloride
Show more names
2,4,6-trichlorobenzenesulfonylacylchloro2,4,6-Trichlorobenzenesulphonylchloride98%2,4,6-Trichlorobenzenesulfonyl chloride 96%2,4,6-Trichlorobenzenesulphonyl chloride 98%
2,4,6-trichlorobenzenesulfonic acid chloride3LBA3D6P6QSCHEMBL181647BCA52773SBB054996chloro(2,4,6-trichlorophenyl)sulfoneAKOS000140376AB92863
Database identifiers
- CAS
51527-73-2- PubChem CID
- 521335
- DTXSID
DTXSID10334621- UNII
- 3LBA3D6P6Q
- EC Number
- 624-725-2
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 261
Physicochemical properties
- Melting point
- 44 · 44-48 °C (lit.)
- Boiling point
- 341 · 341.0±42.0 °C(Predicted)
- Density
- 1.728 · 1.728±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Sensitive
- Moisture Sensitive
- BRN
- 1534870 · 1534870
- InChI
- 1S/C6H2Cl4O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H
- InChIKey
- WHJAQKAAIOHCGN-UHFFFAOYSA-N
- SMILES
- Clc1cc(Cl)c(c(Cl)c1)S(Cl)(=O)=O
- CAS DataBase Reference
- 51527 · 51527-73-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,F+
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-39-37-36
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive/Moisture Sensitive
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 2904990090 · 2904990090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904990090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,F+
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45-39-37-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2,4,6-Trichlorobenzenesulfonyl chloride may be used to synthesize 2,4,6-trichlorothiophenol and N-(2-hydroxymethylphenyl)-2,4,6-trichlorobenzenesulfonamide.
Suppliers90 total
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Related reactions
39 records
Compound notes
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