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Home> Hot Product Listed 5   > 5-oxo-4-phenyl-hexanoic acid amide
50890-83-0 structure

5-oxo-4-phenyl-hexanoic acid amide

Iupac Name:1-methylindazole-3-carboxylic acid
CAS No.:50890-83-0
Molecular Weight:176.17202
Molecular Formula:C20H28N2O3 (isomer)
Names and Identifiers
Synonyms

5-oxo-4-phenylhexanamide AC1MJB78 AKOS016031891 MOLPORT-042-672-111 sr-01000319256 SR-01000319256-1

Inchi
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChkey
OVVDFORZEGKEJM-UHFFFAOYSA-N
Canonical Smiles
CN1C2=CC=CC=C2C(=N1)C(=O)O
Properties
Melting Point
213-221℃
Refractive Index
1.653
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S22;S26;S36/37/39
Transport
OTH
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

Response

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

P330 Rinse mouth.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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:176.17202g/mol
  • Molecular Formula:C20H28N2O3
  • Exact Mass:176.058578
  • Monoisotopic Mass:176.058578
  • Complexity:220
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.1
  • Heavy Atom Count:13
  • 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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Recommended Suppliers
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  • Fax:86-571-88938652
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  • Fax:86-21-51685790
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  • Tel:86-371-86658258
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  • Fax:86-25-83453275
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