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Home> Hot Product Listed M   > methyl 2-(n-methylsulfamoyl)benzoate
68291-97-4 structure

methyl 2-(n-methylsulfamoyl)benzoate

Iupac Name:1,2-benzoxazol-3-ylmethanesulfonamide
CAS No.:68291-97-4
Molecular Weight:212.22572
Molecular Formula:C11H15NOS (isomer)
Names and Identifiers
Synonyms

2-(methylsulfamoyl)benzoic acid methyl ester AKOS008940333 KB-114533 methyl 2-(methylsulfamoyl)benzoate MOLPORT-011-000-906 NE53971 ZINC37405926

Inchi
InChI=1/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Canonical Smiles
C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
Properties
Melting Point
275°C dec.
Safety and Handling
Risk Statements
R22
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:212.22572g/mol
  • Molecular Formula:C11H15NOS
  • Exact Mass:212.025563
  • Monoisotopic Mass:212.025563
  • Complexity:298
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.6
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:86-22-58951207
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