Product Name

  • Name

    CLIDANAC

  • EINECS
  • CAS No. 28968-07-2
  • Article Data14
  • CAS DataBase
  • Density 1.0855 (rough estimate)
  • Solubility
  • Melting Point 150.5-152.5°
  • Formula C16H19ClO2
  • Boiling Point 389.8°C (rough estimate)
  • Molecular Weight 278.779
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 28968-07-2 (CLIDANAC)
  • Hazard Symbols
  • Synonyms Clidanac
  • PSA 37.30000
  • LogP 4.50210

6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid Chemical Properties

IUPAC Name: 6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid 
Empirical Formula: C16H19ClO2
Molecular Weight: 278.7739g/mol
Structure of 6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid (CAS NO.28968-07-2):

Index of Refraction: 1.587
Molar Refractivity: 75.29 cm3
Molar Volume: 223.9 cm3
Polarizability: 29.84×10-24cm3
Surface Tension: 50.5 dyne/cm
Density: 1.244 g/cm3
Flash Point: 210.5 °C
Enthalpy of Vaporization: 71.57 kJ/mol
Boiling Point: 424.4 °C at 760 mmHg
Vapour Pressure: 5.84E-08 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent, Reproductive Effect 
Canonical SMILES: C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)Cl
InChI: InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)
InChIKey: OIRAEJWYWSAQNG-UHFFFAOYSA-N

6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid Toxicity Data With Reference

1.    

orl-rat LD50:41 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 15 (1972),1297.
2.    

ipr-rat LD50:50 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
3.    

scu-rat LD50:60 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
4.    

ivn-rat LD50:45 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
5.    

orl-mus LD50:750 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
6.    

ipr-mus LD50:500 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
7.    

scu-mus LD50:800 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
8.    

ivn-mus LD50:150 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
9.    

orl-rbt LD50:250 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.
10.    

orl-gpg LD50:400 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 7 (1973),333.

6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Experimental teratogenic and reproductive effects. A non-steroidal anti-inflammatory agent. When heated to decomposition it emits toxic fumes of Cl−.

6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid Specification

  6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid , its cas register number is 28968-07-2. It also can be called BRN 2057663 ; 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (+-)- (9CI) .When heated to decomposition it emits toxic fumes of Cl−. And the storage environment of 6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid (CAS NO.28968-07-2) should be ventilate, low-temperature and dry.

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