6813-38-3 supplier
1.Introductionof6813-38-3
Withitssystematicnameof2,2'-bipyridine-4,4'-dicarboxylate,ithasCASregistrynumberof6813-38-3.Ithassynonymsofrarechem
1.Introduction of 6813-38-3
With its systematic name of 2,2'-bipyridine-4,4'-dicarboxylate, it has CAS registry number of 6813-38-3. It has synonyms of rarechem al be 0816; 4,4'-dicarboxy-2,2'-bipyridine; 2,2'-biisonicotinic acid; 2,2'-bipyridine-4,4'-dicarboxylic acid; 2,2'-bipyridyl-4,4'-dicarboxylic acid; 2,2'-dipyridyl-4,4'-dicarboxylic acid. And it belongs to product categories of aromatic carboxylic acids, amides, anilides, anhydrides & salts, organic acids and API intermediates.
2.Properties of 6813-38-3
ACD/LogP: 1.281
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -2.53
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/KOC (pH 7.4): 1.00
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 106.04?2
Flash Point: 363.249 °C
Enthalpy of Vaporization: 104.402 kJ/mol
Boiling Point: 677.02 °C at 760 mmHg V
apour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 6813-38-3
(1)InChI: InChI=1S/C12H8N2O4/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10/
h1-6H,(H,15,16)(H,17,18)
(2)InChIKey: FXPLCAKVOYHAJA-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O
4.Safety Information of 6813-38-3
Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36-37/39
WGK Germany: 3
HazardClass: IRRITANT
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