Benzenesulfonyl chloride, 3,4-dichloro-
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Basic information
- CAS
98-31-7- Standard SMILES
O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1- InChIKey
NYIBPWGZGSXURD-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O2S
- Average molar mass
- 245.5 g/mol
- Monoisotopic mass
- 243.89193338
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 3,4-dichloro-
- IUPAC
- 3,4-dichlorobenzenesulfonyl chloride
- English name
- 3,4-DICHLOROBENZENESULFONYL CHLORIDE
- Molecular formula
- C6H3Cl3O2S
- Molecular weight
- 245.51
Names & synonyms
3,4-DICHLOROBENZENESULFONYL CHLORIDE98-31-7Benzenesulfonyl chloride, 3,4-dichloro-AI3-19279NSC 2651EINECS 202-656-53,4-dichlorobenzene-sulfonyl chlorideDTXSID5059165RefChem:118100DTXCID8049048NYIBPWGZGSXURD-UHFFFAOYSA-N3,4-Dichlorobenzene-1-Sulfonyl Chloride
Show more names
3,4-DICHLOROBENZENES3,4-dichloro-benzenesulfonylchlorid3,4-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,4-dichloro-3,4-Dichlorobenzenesulfonyl chloride,98%3,4-Dichlorobenzenesulfonic acid chloride
3,4-Dichlorobenzenesulphonyl chloride3,4-Dichlorophenylsulfonyl chloride3,4-dichlorobenzenesulfonylchlorideMFCD000412553,4-dichloro-benzenesulfonyl chlorideNSC-2651(3,4-dichlorophenyl)chlorosulfone3,4-dichloro benzene sulfonyl chloride
Database identifiers
- CAS
98-31-7- PubChem CID
- 7383
- DTXSID
DTXSID5059165- UNII
- AX3AD43WDD
- EC Number
- 202-656-5
- Nikkaji
- J134.695D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 20 · 20-22°C
- Boiling point
- 253 °C · 253 °C(lit.)
- Density
- 1.572 g/mL · 1.572 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.589(lit.)
- Flash point
- 135 °F · 135 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- Sensitive
- Moisture Sensitive
- BRN
- 1956417 · 1956417
- InChI
- 1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
- InChIKey
- NYIBPWGZGSXURD-UHFFFAOYSA-N
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
H226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (83.7%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 3,4-dichloro-: INACTIVE
Applications
Description3,4-Dichlorobenzenesulfonyl Chloride, fp 22.4℃, is manufactured from o-dichlorobenzene and chlorosulfuric acid; used as an inexpensive acylating agent.
Uses3,4-Dichloro-benzenesulfonyl Chloride is a useful reagent for organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
166 records
Compound notes
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