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Home> Hot Product Listed T   > T6744301
11113-50-1 structure

T6744301

CAS No.:11113-50-1
Molecular Weight:61.83302
Molecular Formula:C22H30N2O4S (isomer)
Names and Identifiers
Synonyms

MCULE-3378752417 MOLPORT-009-186-234 n-[1-(5-chlorothiophen-2-yl)ethyl]-2-methanesulfonylbenzamide Z364947744

Inchi
InChI=1S/BH3O3/c2-1(3)4/h2-4H
Canonical Smiles
B(O)(O)O
Properties
Melting Point
170.9 deg C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 11113-50-1 EC: T6744301 ·ECHA C&L Inventory for CAS: CAS: 11113-50-1 EC: T6744301
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360FD

Precautionary statement(s)
Prevention

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

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:61.83302g/mol
  • Molecular Formula:C22H30N2O4S
  • Exact Mass:62.017524
  • Monoisotopic Mass:62.017524
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:60.7
  • 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:0
  • Covalently-Bonded Unit Count:1
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