1,3-Adamantanedicarboxylic acid (39269-10-8),1,3-Adamantanedicarboxylic acid (39269-10-8) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
1,3-Adamantanedicarboxylic acid
CAS No.:
39269-10-8
Molecular Structure:
Formula:
C₁₂H₁₆O₄
Molecular Weight:
224.25
Synonyms:
Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylicacid;1,3-Dicarboxyadamantane;
EINECS:
254-395-1
Density:
1.461 g/cm³
Melting Point:
276-278 °C(lit.)
Boiling Point:
380.6 °C at 760 mmHg
Flash Point:
198.2 °C
Risk Codes:
36/37/38
Safety Description:
26-36/37/39 Details

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Chemistry

Molecule structure of 1,3-Adamantanedicarboxylic acid (CAS NO.39269-10-8):

IUPAC Name: Adamantane-1,3-dicarboxylic acid
Molecular Formula: C₁₂H₁₆O₄
Molecular Weight: 224.25 g/mol
Melting Point: 276-278 °C(lit.)
Boiling Point: 380.6 °C at 760 mmHg
Flash Point: 198.2 °C
Density: 1.461 g/cm³
Index of Refraction: 1.624
Molar Refractivity: 54.23 cm³
Molar Volume: 153.4 cm³
Surface Tension: 77.2 dyne/cm
XLogP3-AA: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 224.104859
MonoIsotopic Mass: 224.104859
Topological Polar Surface Area: 74.6
Heavy Atom Count: 16
Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)O
InChI: InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKey: PAVQGHWQOQZQEH-UHFFFAOYSA-N
EINECS: 254-395-1
Product Categories of 1,3-Adamantanedicarboxylic acid (CAS NO.39269-10-8): Adamantane derivatives; Carboxylic Acids; Adamantanes; Carboxylic Acids; Fused Ring Systems; Alicyclic/Etch-Resistant MonomersPolymer Science; Carboxylic Acid Monomers; Lithography Monomers; Monomers; Self Assembly and Contact Printing

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 600mg/kg (600mg/kg)		Pharmaceutical Chemistry Journal Vol. 8, Pg. 396, 1974

Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
RTECS: YD1994000

Specification

1,3-Adamantanedicarboxylic acid (CAS NO.39269-10-8) is also named as 4-09-00-02997 (Beilstein Handbook Reference) ; Adamantane-1,3-dicarboxylic acid ; BRN 3141149 ; Tricyclo(3.3.1.1(sup 3,7))decane-1,3-dicarboxylic acid ; Tricyclo(3.3.1.13,7)decane-1,3-dicarboxylic acid .