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Home> Hot Product Listed S   > S-Methyl-N-(2-methylbenzoyl)-S-phenylsulfoximide
79622-59-6 structure

S-Methyl-N-(2-methylbenzoyl)-S-phenylsulfoximide

Iupac Name:3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CAS No.:79622-59-6
Molecular Weight:465.089
Molecular Formula:C21H19CLO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
InChkey
UZCGKGPEKUCDTF-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Properties
Melting Point
113°C
Refractive Index
1.571
Safety and Handling
Risk Statements
R23;R41;R43;R50/53
Safety Statements
S26;S36/37/39;S45;S60;S61
Transport
UN 2811
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Skin sensitization, Category 1A

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

H410 Very toxic to aquatic life with long lasting effects

H361d

Precautionary statement(s)
Prevention

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

P201 Obtain special instructions before use.

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

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P391 Collect spillage.

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:465.089g/mol
  • Molecular Formula:C21H19CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:463.951
  • Monoisotopic Mass:463.951
  • Complexity:628
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:117A^2
  • Heavy Atom Count:29
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBzucAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHQIUAAAADArBGjQ98JLYUACh AjZnZwCCgCkxByAh2CAodpqIYOLB29HUIAhogILIyCcQgAAOCABAQAYBADAQAICADAIAYAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-371-86658258
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  • Fax:+86-318-6150000
  • Tel:86-188-74586545
  • Fax:86-27-83214668
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