Product Name

  • Name

    CD437

  • EINECS
  • CAS No. 125316-60-1
  • Article Data7
  • CAS DataBase
  • Density 1.29g/cm3
  • Solubility
  • Melting Point 271.6-276oC
  • Formula C27H26 O3
  • Boiling Point 595°Cat760mmHg
  • Molecular Weight 398.53
  • Flash Point 327.7°C
  • Transport Information
  • Appearance
  • Safety Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 125316-60-1 (CD437)
  • Hazard Symbols
  • Synonyms 6-[3-(1-Adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylicacid; AHPN; CD 437; CD 437/AHPN
  • PSA 57.53000
  • LogP 6.37840

CD437 Chemical Properties

IUPAC Name: 6-[3-(1-Adamantyl)-4-Hydroxyphenyl]naphthalene-2-carboxylic acid 
Following is the structure of 6-(4-Hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-2-naphthalenecarboxylic acid (CAS NO.125316-60-1):
                  
Empirical Formula: C27H26O3
Molecular Weight: 398.4935 g/mol
Surface Tension: 62.6 dyne/cm
Index of Refraction: 1.688
Density: 1.29 g/cm3
Flash Point: 327.7 °C
Melting point: 271.6-276 °C
Storage tempreture: −20 °C
Solubility in DMSO: 26 mg/mL
Enthalpy of Vaporization: 93.26 kJ/mol
Boiling Point: 595 °C at 760 mmHg
Appearance of 6-(4-Hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-2-naphthalenecarboxylic acid (CAS NO.125316-60-1): yellow solid
Vapour Pressure of 6-(4-Hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-2-naphthalenecarboxylic acid (CAS NO.125316-60-1): 5.27E-15 mmHg at 25 °C
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
InChI: InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
InChIKey: LDGIHZJOIQSHPB-UHFFFAOYSA-N

CD437 Toxicity Data With Reference

1.    

dni-hmn-oth 0.1 µmol/l/6D

     CALEDQ    Cancer Letters (Shannon, Ireland). 137 (1999),217.

CD437 Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition, 6-(4-Hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-2-naphthalenecarboxylic acid (CAS NO.125316-60-1) emits acrid smoke and irritating vapors.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: QJ1975900

CD437 Specification

 6-(4-Hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-2-naphthalenecarboxylic acid , its cas register number is 125316-60-1. Its classification code is Reproductive Effect.

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