(2-Propen-1-ylsulfonyl)benzene
Basic information
- CAS
16212-05-8- Standard SMILES
C=CCS(=O)(=O)c1ccccc1- InChIKey
KYPIULIVYSQNNT-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Overview
used for plasma surface treatment
Names & identifiers
- Preferred name
- (2-Propen-1-ylsulfonyl)benzene
- IUPAC
- prop-2-enylsulfonylbenzene
- English name
- Allyl phenyl sulfone
- Molecular formula
- C9H10O2S
- Molecular weight
- 182.24
Names & synonyms
Allyl phenyl sulfone16212-05-8Benzene, (2-propenylsulfonyl)-(Allylsulphonyl)benzeneAllyl phenyl sulphone37KT5U3YH4NSC-221230(2-Propen-1-ylsulfonyl)benzeneDTXSID1066025RefChem:554883DTXCID8035211240-338-8
Show more names
Allyl Phenyl suloneALLYLSULFONYLBENZENEPhenyl allyl sulfone.Allyl phenyl sulfone,98%Allyl Phenyl Sulfone >Phenyl 2-propenyl sulfone
(Allylsulfonyl)benzeneprop-2-enylsulfonylbenzenePhenyl allyl sulfoneSulfone, allyl phenylBenzene, (2-propen-1-ylsulfonyl)-MFCD00014739(prop-2-ene-1-sulfonyl)benzeneAllylphenyl sulfone
Database identifiers
- CAS
16212-05-8- PubChem CID
- 85330
- DTXSID
DTXSID1066025- UNII
- 37KT5U3YH4
- EC Number
- 240-338-8
- Nikkaji
- J49.540I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 110 · 110-113 °C/0.5 mmHg (lit.)
- Density
- 1.189 g/mL · 1.189 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.548(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Orange to Green
- Water Solubility
- insol water; sol most organic solvents.
- Sensitive
- Light Sensitive
- BRN
- 1863561 · 1863561
- InChI
- InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
- InChIKey
- KYPIULIVYSQNNT-UHFFFAOYSA-N
- SMILES
- C1(S(CC=C)(=O)=O)=CC=CC=C1
- CAS DataBase Reference
- 16212 · 16212-05-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- WR2400000
- hs_code
- 2930909899
- Toxicity
- mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02689,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (2-propen-1-ylsulfonyl)-: ACTIVE
Applications
UsesPossible usages of allyl phenyl sulfone:It can undergo isomerization by the nonionic proazaphosphatrane catalysts under mild reaction conditions.It can react with epoxymesylate to give cycloalkane derivative. This method has been employed in the synthesis of marine eicosanoid bacillariolides I-III.It can undergo electrocatalytic additions to vinyl sulfones catalyzed by an electrogenerated base.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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