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Home> Hot Product Listed T   > T6499748
5610-40-2 structure

T6499748

CAS No.:5610-40-2
Molecular Weight:217.268
Molecular Formula:C16H14CLN3O2S (isomer)
Names and Identifiers
Synonyms

2-[(4-cyanophenyl)methanesulfonyl]-n-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide MCULE-2555589038 MOLPORT-009-327-386 Z441719580

Inchi
InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
InChkey
SWZMSZQQJRKFBP-WZRBSPASSA-N
Canonical Smiles
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Properties
Melting Point
140-1420C
Refractive Index
1.633
Safety and Handling
Risk Statements
R23/24/25
Safety Statements
Poison by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 5610-40-2 EC: T6499748 ·ECHA C&L Inventory for CAS: CAS: 5610-40-2 EC: T6499748
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if 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:217.268g/mol
  • Molecular Formula:C16H14CLN3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:217.11
  • Monoisotopic Mass:217.11
  • Complexity:426
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAWIAAAAsQAAABAAAAFiAAAAAHgAAAAAADGzBgAQACAMABACI AiDSCACAAAAgAAAICAAIAEgKBAIAoQAHEAAGwACYoQOQwMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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