Basic information
- Name:
1,2-Cyclohexanedicarboxylicacid, (1R,2R)-rel-
- Superlist Name:
- trans-1,2-Cyclohexanedicarboxylic acid
- CAS No.:
2305-32-0
- Molecular Structure:
- Formula:
- C8H12O4
- Molecular Weight:
- 172.18
- Synonyms:
- 1,2-Cyclohexanedicarboxylicacid, trans- (8CI);(1R,2R)-cyclohexane-1,2-dicarboxylic acid;NSC 31593;trans-1,2-Cyclohexanedicarboxylicacid;1,2-cyclohexanedicarboxylic acid, (1R,2R)-;
- EINECS:
- 218-975-8
- Density:
- 1.314 g/cm3
- Melting Point:
- 228-230 °C(lit.)
- Boiling Point:
- 384.075 °C at 760 mmHg
- Flash Point:
- 200.254 °C
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The trans-1,2-Cyclohexanedicarboxylic acid, with the CAS registry number 2305-32-0 and EINECS registry number 218-975-8, has the systematic name of (1R,2R)-cyclohexane-1,2-dicarboxylic acid. It is a kind of white crystalline powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C8H12O4.
The physical properties of trans-1,2-Cyclohexanedicarboxylic acid are as followings: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.861; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 74.6 Å2; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 39.885 cm3; (13)Molar Volume: 130.952 cm3; (14)Polarizability: 15.812×10-24cm3; (15)Surface Tension: 57.832 dyne/cm; (16)Density: 1.315 g/cm3; (17)Flash Point: 200.254 °C; (18)Enthalpy of Vaporization: 69.461 kJ/mol; (19)Boiling Point: 384.075 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O
(2)InChI: InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
(3)InChIKey: QSAWQNUELGIYBC-PHDIDXHHBG