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Home> Hot Product Listed T   > T6672715
10238-21-8 structure

T6672715

Iupac Name:5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-
methoxybenzamide
CAS No.:10238-21-8
Molecular Weight:494.00352
Molecular Formula:C23H23N5O2S (isomer)
Names and Identifiers
Synonyms

2-chloro-n-[3-(5-methyl-1h-pyrazol-1-yl)phenyl]pyridine-4-carboxamide MCULE-3222845305 MOLPORT-009-107-018 Z872275494 ZINC48364368

Inchi
InChI=1/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
InChkey
ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
Properties
Melting Point
173-175°C
Refractive Index
1.628
HS Code
29350090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
22-36/37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 10238-21-8 EC: T6672715 ·ECHA C&L Inventory for CAS: CAS: 10238-21-8 EC: T6672715
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:494.00352g/mol
  • Molecular Formula:C23H23N5O2S
  • XLogP3-AA:4.8
  • Exact Mass:493.143819
  • Monoisotopic Mass:493.143819
  • Complexity:746
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:122
  • Heavy Atom Count:33
  • 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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