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Osalmid

  • Name Osalmid
  • EINECS208-385-9
  • CAS No. 526-18-1
  • Density1.387 g/cm3
  • PSA69.56000
  • LogP2.42310
  • Solubility916mg/L at 25℃
  • Melting Point179 °C
  • FormulaC13H11NO3
  • Boiling Point350.8 °C at 760 mmHg
  • Molecular Weight229.235
  • Flash Point165.9 °C
  • Transport InformationN/A
  • AppearanceWhite crystal
  • Safety26-36/37
  • Risk Codes22-36/37/38-42/43
  • Molecular Structure
    Molecular Structure of 526-18-1 (2-Hydroxy-N-(4-hydroxyphenyl)-benzamide)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data9

Osalmid Specification

The Osalmid with CAS registry number of 526-18-1 is also known as 4'-Hydroxysalicylanilide. The IUPAC name is 2-Hydroxy-N-(4-hydroxyphenyl)benzamide. Its EINECS registry number is 208-385-9. In addition, the formula is C13H11NO3 and the molecular weight is 229.23. This chemical is prepared by reaction of phenyl salicylate with aminophenol.

Physical properties about Osalmid are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 48.82; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 562.43; (8)ACD/KOC (pH 7.4): 483.87; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.71; (13)Molar Refractivity: 64.59 cm3; (14)Molar Volume: 165.1 cm3; (15)Surface Tension: 69.5 dyne/cm; (16)Density: 1.387 g/cm3; (17)Flash Point: 165.9 °C; (18)Enthalpy of Vaporization: 61.89 kJ/mol; (19)Boiling Point: 350.8 °C at 760 mmHg; (20)Vapour Pressure: 2.12E-05 mmHg at 25 °C.

Uses of Osalmid: it is used to produce 2-methyl-3-(4-vinyloxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one by reaction with ethyne. The reaction occurs with catalysts KOH, CdO and solvent dioxane at 200 °C for 1.5 hours. The yield is about 54%. Besides, the reaction pressure is 8360.004-9120.004. What's more, it is used for cholecystitis, bile duct inflammation, cholelithiasis and bile duct syndrome after surgery.

Osalmid is used to produce 2-methyl-3-(4-vinyloxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one by reaction with ethyne.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful if swallowed and may cause sensitisation by inhalation and skin contact. During using it, wear suitable protective clothing and gloves. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
2. InChI: InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
3. InChIKey: LGCMKPRGGJRYGM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 517mg/kg (517mg/kg)   Drugs in Japan Vol. 6, Pg. 159, 1982.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03234,
mouse LD50 oral 1050mg/kg (1050mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Japanese Journal of Pharmacology. Vol. 22, Pg. 235, 1972.
mouse LD50 subcutaneous 1900mg/kg (1900mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
rat LD50 intraperitoneal 1484mg/kg (1484mg/kg)   Drugs in Japan Vol. -, Pg. 290, 1995.
rat LD50 oral 6702mg/kg (6702mg/kg)   Drugs in Japan Vol. 6, Pg. 159, 1982.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. 6, Pg. 159, 1982.

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