Benzenesulfonyl chloride, 2,4-dinitro-
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Basic information
- CAS
1656-44-6- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1- InChIKey
SSFSNKZUKDBPIT-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O6S
- Average molar mass
- 266.62 g/mol
- Monoisotopic mass
- 265.9400345
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 2,4-dinitro-
- IUPAC
- 2,4-dinitrobenzenesulfonyl chloride
- English name
- 2,4-Dinitrobenzenesulfonyl chloride
- Molecular formula
- C6H3ClN2O6S
- Molecular weight
- 266.62
Names & synonyms
2,4-Dinitrobenzenesulfonyl chloride1656-44-6Benzenesulfonyl chloride, 2,4-dinitro-EINECS 216-749-3DTXSID20618542,4-Dinitrobenzene sulfochlorideSSFSNKZUKDBPIT-UHFFFAOYSA-RefChem:118098DTXCID0035320InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3HSSFSNKZUKDBPIT-UHFFFAOYSA-N2,4-Dinitrobenzene-1-sulfonyl chloride
Show more names
2,4-DinitrobenzenesuL2,4-Dinitrobenzenesulfonylchl4-Dinitrobenzenesulfonyl chloride2,4-dinitro-benzenesulfonylchlorid1-(Chlorosulphonyl)-2,4-dinitrobenzene2,4-Dinitrobenzenesulfonyl chloride,98%
2,4-Dinitrobenzenesulphonyl chlorideC6H3ClN2O6SMFCD000074312,4-dinitrophenylsulfonyl chlorideBenzenesulfonylchloride, 2,4-dinitro-SCHEMBL17259SCHEMBL29430338(2,4-dinitrophenyl)chlorosulfone
Database identifiers
- CAS
1656-44-6- PubChem CID
- 74255
- DTXSID
DTXSID2061854- EC Number
- 216-749-3
- Nikkaji
- J3.373A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 101 · 101-103 °C (lit.)
- Boiling point
- 60 · 60-80 °C
- Density
- 1.78 · 1.780
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- Light Yellow Crystalline
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 2147583 · 2147583
- Stability
- Hygroscopic
- InChI
- 1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
- InChIKey
- SSFSNKZUKDBPIT-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(Cl)(=O)=O
- CAS DataBase Reference
- 1656 · 1656-44-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzenesulfonyl chloride, 2,4-dinitro- (1656-44-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H340-H350-H373
- Precautionary statements
- 202 · P202-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- target organs
- Blood
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T,C
- Risk Statements
- 34 · 34-65-48/23/24/25-46-45-48/20/21/22
- Safety Statements
- 53 · 53-26-36/37/39-45-62
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 21 · 21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 2904990090 · 2904990090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 1 AEye · Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2
- Limited Quantities
- 5 kg · 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, 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 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzenesulfonyl chloride, 2,4-dinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904990090
- risk_code
- 34-65-48/23/24/25-46-45-48/20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- T,C
- safety_code
- 53-26-36/37/39-45-62
- hazard_class
- 8
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- target organs
- Blood
- Hazard statements
- H314-H340-H350-H373
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2
- Precautionary statements
- P202-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 2,4-dinitro-: ACTIVE
Applications
Uses2,4-Dinitrobenzenesulfonyl chloride was used to protect primary amines. It was used as starting reagent in the synthesis of tert-butyl 2-[(2,4-dinitrophenyl) sulfonyl]amino acetate.
General Description2,4-Dinitrobenzenesulfonyl chloride causes the sulfonation of glycosylamines to yield N-glycosyl-2,4-dinitrobenzenesulfonamides.
Upstream & downstream products
Upstream raw materials
Related reactions
37 records
Compound notes
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