Benzenesulfonyl chloride, 2,5-dimethyl-
Basic information
- CAS
19040-62-1- Standard SMILES
Cc1ccc(C)c(S(=O)(=O)Cl)c1- InChIKey
FZVZUIBYLZZOEW-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2S
- Average molar mass
- 204.67 g/mol
- Monoisotopic mass
- 204.00117821
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 2,5-dimethyl-
- IUPAC
- 2,5-dimethylbenzenesulfonyl chloride
- English name
- 2,5-Dimethylbenzenesulfonyl chloride
- Molecular formula
- C8H9ClO2S
- Molecular weight
- 204.67
Names & synonyms
2,5-Dimethylbenzenesulfonyl chloride19040-62-12,5-dimethylbenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 2,5-dimethyl-DTXSID6066448RefChem:565037DTXCID1035999638-949-3p-Xylene-2-sulfonyl chlorideMFCD00024875(2,5-dimethylphenyl)chlorosulfone2,5-Dimethylbenzenesulphonyl chloride
Show more names
AKOS B019389BUTTPARK 99\57-67ART-CHEM-BB B019389OTAVA-BB BB7020410112xylenesulfonylchloride2,5-Xylenesulfonyl chloride2-(Chlorosulphonyl)-p-xylenep-Xylene-2-sulfonylChloride>2,5-dimethyl-benzenesulfonylchlorid
2,5-Dimethyl-benzenesulfonyl chlorideSCHEMBL742725SCHEMBL29642997FZVZUIBYLZZOEW-UHFFFAOYSA-2,5dimethylbenzenesulfonyl chlorideALBB-000984BBL013797SBB016604
Database identifiers
- CAS
19040-62-1- PubChem CID
- 87910
- DTXSID
DTXSID6066448- EC Number
- 638-949-3
- Nikkaji
- J28.760A
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 242
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 156 · 156-158℃
- Boiling point
- 77 °C · 77 °C
- Density
- 1.29 · 1.290
- RTECS
- 8927600 · DB8927600
- Flash point
- 21 °C · 21°C
- storage temp.
- Store at room temperature, keep dry and cool
- form
- Liquid/Solid
- color
- Pale yellow
- Sensitive
- Moisture Sensitive
- CAS DataBase Reference
- 19040 · 19040-62-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Benzenesulfonyl chloride, 2,5-dimethyl- (19040-62-1)
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
H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (12.5%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2920
- hs_code
- 29162090
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 16-26-36/37/39-27
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H290-H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 2,5-dimethyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
21 records
Compound notes
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