4,4'-Methylenedi(benzene-1-sulfonyl chloride)
Basic information
- CAS
3119-64-0- Standard SMILES
O=S(=O)(Cl)c1ccc(Cc2ccc(S(=O)(=O)Cl)cc2)cc1- InChIKey
YKMMQCFZCFAHOU-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2O4S2
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 363.9397565
Overview
See also: 4,4'-Methylene-bis(benzenesulfonyl chloride) (annotation moved to).
Names & identifiers
- Preferred name
- 4,4'-Methylenedi(benzene-1-sulfonyl chloride)
- IUPAC
- 4-[(4-chlorosulfonylphenyl)methyl]benzenesulfonyl chloride
- English name
- 4,4'-Methylenebis(benzenesulfonyl chloride)
- Molecular formula
- C13H10Cl2O4S2
- Molecular weight
- 365.25
Names & synonyms
DTXSID303918774,4'-Methylenedi(benzene-1-sulfonyl chloride)RefChem:1069290DTXCID803427383119-64-04,4'-Methylenebis(benzenesulfonyl chloride)4-[(4-chlorosulfonylphenyl)methyl]benzenesulfonyl ChlorideMFCD000123634,4-METHYLENEBIS(BENZENESULFONYLCHLORIDE)4-[4-(Chlorosulfonyl)benzyl]benzenesulfonyl chlorideC13H10Cl2O4S2Benzenesulfonyl chloride, 4,4'-methylenebis-
Show more names
BIS(4-CHLOROSULFONYLPHENYL)METHANE4,4''-Methylenebis-(sulfonyl chloride)diphenylmethane-4,4'-disulfonyl chloride4,4'-Methylenebis(benzenesulfonylChloride)>4,4'-Methylenebis(benzenesulfonic acid chloride)4,4''-METHYLENEBIS(BENZENESULFONYL CHLORIDE) 95+% T4-[4-(CHLOROSULFONYL)BENZYL]BENZENESULFONYLCHLORIDE4,4′-Methylenebis(benzenesulfonyl chloride), CAS 3119-64-0
4-[4-(Chlorosulfonyl)benzyl]-benzenesulfonyl chlorideSCHEMBL2263958SBB0550014,4 inverted exclamation mark -METHYLENEBIS(BENZENESULFONYL CHLORIDE)AKOS015889339SY051325DB-047982T72275
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Melting point
- 123 · 123-125 °C(lit.)
- Boiling point
- 483.9 · 483.9±38.0 °C(Predicted)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- 1S/C13H10Cl2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2
- InChIKey
- YKMMQCFZCFAHOU-UHFFFAOYSA-N
- SMILES
- ClS(=O)(=O)c1ccc(Cc2ccc(cc2)S(Cl)(=O)=O)cc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904.10.3700
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 23-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302+H312+H332-H314
- 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
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses4,4′-Methylenebis(benzenesulfonyl chloride) [(Diphenylmethane-4,4′-disulfonyl chloride)] was used in the synthesis of polymers representing the aromatic piperazine sulfonamide to study their thermal stability.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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