4-Methoxybenzenesulfonyl chloride
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Basic information
- CAS
98-68-0- Standard SMILES
COc1ccc(S(=O)(=O)Cl)cc1- InChIKey
DTJVECUKADWGMO-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3S
- Average molar mass
- 206.65 g/mol
- Monoisotopic mass
- 205.98044276
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Methoxybenzenesulfonyl chloride
- IUPAC
- 4-methoxybenzenesulfonyl chloride
- English name
- 4-Methoxybenzenesulfonyl chloride
- Molecular formula
- C7H7ClO3S
- Molecular weight
- 206.65
Names & synonyms
4-Methoxybenzenesulfonyl chloride98-68-04-Methoxybenzenesulphonyl chlorideDTXSID50243364RefChem:524722DTXCID50165855202-692-14-Methoxybenzene-1-Sulfonyl Chloridep-Anisylsulfonyl chlorideBenzenesulfonyl chloride, 4-methoxy-4-Methoxy-benzenesulfonyl chloridep-Anisolesulfonyl Chloride
Show more names
AKOS BBS-000044734-MethoxybenzenesuL4-Methoxybenzenesulf4-METHOXYBENZENESULPHONYL4-(Chlorosulphonyl)anisole4-methoxybenzolsulfonylchlorid4-Methoxybenzenesulfonylchlorid
MFCD000074464-Methoxyphenylsulfonyl ChlorideP-METHOXYBENZENESULFONYL CHLORIDEp-Methoxyphenylsulfonyl chlorideBenzenesulfonyl chloride, p-methoxy-4-methoxybenzenesulfonic acid chloride4-(methyloxy)benzenesulfonyl chloridechloro(4-methoxyphenyl)sulfone
Database identifiers
- CAS
98-68-0- PubChem CID
- 7401
- DTXSID
DTXSID50243364- EC Number
- 202-692-1
- Nikkaji
- J38.357K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 39 · 39-42 °C(lit.)
- Boiling point
- 173 °C14 · 173 °C14 mm Hg(lit.)
- Density
- 1.3836 · 1.3836 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O · DMSO (Slightly), sol acetone, acetonitrile, EtOH, MeOH, dioxane, H2O
- form
- Crystalline Solid
- color
- White to beige
- Water Solubility
- decomposes
- Sensitive
- Moisture Sensitive
- BRN
- 609005 · 609005
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
- InChIKey
- DTJVECUKADWGMO-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(OC)C=C1
- CAS DataBase Reference
- 98 · 98-68-0(CAS DataBase Reference)
- NIST Chemistry Reference
- P-methoxybenzenesulfonyl chloride(98-68-0)
- Comptox DTXSID
- 50243364 · DTXSID50243364
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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
- Risk Statements
- 34 · 34-29
- Safety Statements
- 26 · 26-36/37/39-45-28A-27
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Hazard Note
- Corrosive/Moisture Sensitive
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29093090 · 29093090
- 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
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 49 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information4-Methoxybenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29093090
- risk_code
- 34-29
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45-28A-27
- 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
Uses4-Methoxybenzenesulfonyl chloride is used as an anti-HIV as Pharmaceutical Intermediates. It also acts as protecting group agent for various nitrogen functions.
Upstream & downstream products
Downstream products
Related reactions
655 records
Compound notes
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