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trans-1,2-Cyclohexanedicarboxylic acid

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Name

trans-1,2-Cyclohexanedicarboxylic acid

EINECS 218-975-8
CAS No. 2305-32-0 Density 1.314 g/cm3
PSA 74.60000 LogP 0.96200
Solubility 2g/L(20 oC) Melting Point 228-230 °C(lit.)
Formula C8H12O4 Boiling Point 384.075 °C at 760 mmHg
Molecular Weight 172.181 Flash Point 200.254 °C
Transport Information N/A Appearance white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2305-32-0 (trans-1,2-Cyclohexanedicarboxylic acid) Hazard Symbols IrritantXi
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)-;

Article Data 47

trans-1,2-Cyclohexanedicarboxylic acid Synthetic route

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With barium hydroxide octahydrate In water for 2h; Heating;99%
110-17-8

(2E)-but-2-enedioic acid

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 24h;98%
610-09-3

(1R,2S)-cyclohexane-1,2-dicarboxylic acid

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 150℃; under 2280.15 Torr; for 72h; Reagent/catalyst; Concentration; Autoclave;95.5%
With hydrogenchloride at 180℃;
With phosphoric acid
With sulfuric acid
14166-21-3

(+/-)-trans-1,2-cyclohexanedicarboxylic anhydride

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With potassium superoxide; tetraethylammonium bromide In N,N-dimethyl-formamide at 25℃; for 12h; Ring cleavage;41%
635-08-5

cyclohex-1-ene-1,2-dicarboxylic acid

A

610-09-3

(1R,2S)-cyclohexane-1,2-dicarboxylic acid

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With sodium amalgam; sodium carbonate
635-08-5

cyclohex-1-ene-1,2-dicarboxylic acid

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With hydrogen iodide at 230℃; im geschlossenen Rohr;
Multi-step reaction with 2 steps
1: natrium carbonate; sodium amalgam
2: concentrated hydrochloric acid / 180 °C
View Scheme
Multi-step reaction with 2 steps
1: natrium carbonate; sodium amalgam
2: concentrated hydrochloric acid / 180 °C
View Scheme
1687-30-5

cyclohexane-1,2-dicarboxylic acid

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With hydrogen bromide im geschlossenen Rohr; man laesst auf das Bromwasserstoffadditionsprodukt Natriumamalgam einwirken;
1687-29-2

dimethyl cis-1,2-cyclohexanedicarboxylate

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide
10138-59-7

diethyl 1,2-cyclohexanedicarboxylate

141-52-6

sodium ethanolate

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
cis-hexahydrophthalic acid diethyl ester;
50708-48-0

cyclohexane-1,1,2,2-tetracarboxylic acid tetraethyl ester

2305-32-0

trans-1,2-cyclohexanedicarboxylic acid

Conditions
ConditionsYield
With hydrogenchloride at 150℃;

trans-1,2-Cyclohexanedicarboxylic acid 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

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