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Ethanesulfonyl chloride, 2-[(2-fluorophenyl)methoxy]- structure
Ethanesulfonyl chloride, 2-[(2-fluorophenyl)methoxy]- structure

Ethanesulfonyl chloride, 2-[(2-fluorophenyl)methoxy]-

Iupac Name:diamino(114C)methanone
CAS No.: 594-05-8
Molecular Weight:62.07
Modify Date.: 2022-02-11 23:33
1. Names and Identifiers
1.1 Name
Ethanesulfonyl chloride, 2-[(2-fluorophenyl)methoxy]-
1.2 CAS No.
594-05-8
1.3 CID
11457650
1.4 Molecular Formula
C12H21NO3 (isomer)
1.5 Inchi
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2
1.6 InChkey
XSQUKJJJFZCRTK-NJFSPNSNSA-N
1.7 Canonical Smiles
C(=O)(N)N
1.8 Isomers Smiles
[14C](=O)(N)N
2. Safety and Handling
3.1 Risk Statements
36/37/38-40
3.1 Safety Statements
safetyDesc
3.1 RIDADR
UN 2910 7
3.1 WGK Germany
3
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight: 62.07g/mol
  • Molecular Formula: C12H21NO3
  • Compound Is Canonicalized: True
  • XLogP3-AA: _1.4
  • Exact Mass: 62.03560474
  • Monoisotopic Mass: 62.03560474
  • Complexity: 29
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 69.1
  • Heavy Atom Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 1
  • Covalently-Bonded Unit Count: 1
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UREA, [14C]
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire