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Home> Hot Product Listed 3   > 3-Pyridinecarboxamide, 5-cyano-2,4-dimethyl-6-(methylthio)-N-phenyl-
91138-00-0 structure

3-Pyridinecarboxamide, 5-cyano-2,4-dimethyl-6-(methylthio)-N-phenyl-

Iupac Name:5-methyl-1-phenylpyrazole-4-carboxylic acid
CAS No.:91138-00-0
Molecular Weight:202.2093
Molecular Formula:C14H8CLNO5 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChkey
USSMIQWDLWJQDQ-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=NN1C2=CC=CC=C2)C(=O)O
Properties
Melting Point
163℃
Refractive Index
1.617
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:202.2093g/mol
  • Molecular Formula:C14H8CLNO5
  • Exact Mass:202.074228
  • Monoisotopic Mass:202.074228
  • Complexity:239
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.1
  • Heavy Atom Count:15
  • 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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