(2,4-Dichlorophenyl)methanesulfonyl chloride
Basic information
- CAS
88691-50-3- Standard SMILES
O=S(=O)(Cl)Cc1ccc(Cl)cc1Cl- InChIKey
SNLHLLYEHFIELA-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O2S
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 257.907584
Names & identifiers
- Preferred name
- (2,4-Dichlorophenyl)methanesulfonyl chloride
- IUPAC
- (2,4-dichlorophenyl)methanesulfonyl chloride
- English name
- (2,4-Dichlorophenyl)-methanesulfonyl chloride
- Molecular formula
- C7H5Cl3O2S
- Molecular weight
- 259.54
Names & synonyms
(2,4-Dichlorophenyl)methanesulfonyl chloride88691-50-3DTXSID20344110RefChem:394578DTXCID90295185672-144-8(2,4-Dichlorophenyl)-methanesulfonyl chloride2,4-Dichlorobenzylsulfonyl chlorideMFCD041163702,4-DICHLOROBENZYLSULPHONYL CHLORIDE(2,4-Dichlorophenyl)-methanesulfonylchlorideSCHEMBL271766
Show more names
2,4-Dichlorobenzylsulfonyl chloride 97%(2,4-Dichlorophenyl)methylsulphonyl chlorideBenzenemethanesulfonyl chloride, 2,4-dichloro-
GEO-01001SBB102214AKOS000129414AB20691FS-4412SY143653[(2,4-dichlorophenyl)methyl]chlorosulfone2,4-Dichlorobenzylsulfonyl chloride, 97%
Database identifiers
- CAS
88691-50-3- PubChem CID
- 594471
- DTXSID
DTXSID20344110- EC Number
- 672-144-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 83 · 83-85
- Boiling point
- 350.6 · 350.6±32.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C7H5Cl3O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
- InChIKey
- SNLHLLYEHFIELA-UHFFFAOYSA-N
- SMILES
- Clc1ccc(CS(Cl)(=O)=O)c(Cl)c1
- 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
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
Safety data
- wgk
- 3
- ridadr
- 3261
- hs_code
- 2904990090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- CORROSIVE
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
3 records
Compound notes
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