Basic information
- CAS
10147-37-2- Standard SMILES
CC(C)S(=O)(=O)Cl- InChIKey
DRINJBFRTLBHNF-UHFFFAOYSA-N- Molecular formula
- C3H7ClO2S
- Average molar mass
- 142.61 g/mol
- Monoisotopic mass
- 141.98552814
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Propanesulfonyl chloride
- IUPAC
- propane-2-sulfonyl chloride
- English name
- ISOPROPYLSULFONYL CHLORIDE
- Molecular formula
- C3H7ClO2S
- Molecular weight
- 142.6
Names & synonyms
10147-37-22-Propanesulfonyl chlorideIsopropyl sulfonyl chloride64X7NUB4AKDTXSID60143942RefChem:792262DTXCID7066433233-415-2Isopropylsulfonyl chloridePropane-2-sulfonyl chlorideIsopropylsulphonyl chlorideisopropanesulfonyl chloride
Show more names
2-PropanesuLSOPROPYLSULFONYL CHLORIDEPropan-2-sulfonyl chlorideIsopropylsulfonylChloride>
2-Propanesulfonylchlorideisopropylsulphonyl chorideMFCD00007453EINECS 233-415-22-propylsulfonyl chloridepropan-2-sulfonyl chloridiso-propylsulfonyl chloride2-propanesulphonyl chloride
Database identifiers
- CAS
10147-37-2- PubChem CID
- 82408
- DTXSID
DTXSID60143942- UNII
- 64X7NUB4AK
- EC Number
- 233-415-2
- Nikkaji
- J149.669G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- -47 °C · -47°C
- Boiling point
- 74 · 74-75 °C/19 mmHg (lit.)
- Density
- 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
- vapor density
- 4 · 4 (vs air)
- vapor pressure
- 15.5 mm · 15.5 mm Hg ( 25 °C)
- refractive index
- 20 · n20/D 1.453(lit.)
- Flash point
- 187 °F · 187 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Acetontrile (Slightly), Chloroform (Slightly)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.27 · 1.270
- Water Solubility
- Reacts with water.
- Sensitive
- Lachrymatory
- BRN
- 1747497 · 1747497
- InChI
- 1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
- InChIKey
- DRINJBFRTLBHNF-UHFFFAOYSA-N
- SMILES
- CC(C)S(Cl)(=O)=O
- CAS DataBase Reference
- 10147 · 10147-37-2(CAS DataBase Reference)
- FDA UNII
- 64 X7NUB4AK · 64X7NUB4AK
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-R34
- Safety Statements
- 26 · 26-28-36/37/39-45-S45-S36/37/39-S28-S26
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 13 · 13-19-21
- Autoignition Temperature
- 865 °F · 865 °F
- Hazard Note
- Lachrymatory/Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049090 · 29049090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- F
- 13-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29049090
- risk_code
- 34-R34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Lachrymatory/Corrosive
- safety_code
- 26-28-36/37/39-45-S45-S36/37/39-S28-S26
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 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
- Autoignition Temperature
- 865 °F
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses2-Propanesulfonyl chloride is used as a pharmaceutical intermediate. Reductive cleavage of a secondary alcohol to methylene has been achieved by reduction of the 2-propanesulfonyl ester with lithium triethylborohydride.
Uses2-Propanesulfonyl chloride (isopropylsulfonyl chloride) can be used as a reactant to prepare:1-Isopropylsulfonyl-2-amine benzimidazole by reacting with 2-aminobenzimidazole via N-sulfonylation reaction in the presence of a base.Bis(isopropylsulfonyl)disulfide, a sulfurizing agent, used to synthesize phosphorothioate oligonucleotide analogs.
General DescriptionThe solvolysis of 2-propanesulfonyl chloride by an addition-elimination (association-dissociation) pathway was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
396 records
Compound notes
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