(±)-trans-1,2-Cyclohexanedicarboxylic acid
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(±)-trans-1,2-Cyclohexanedicarboxylic acid
structure -
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CAS No:
2305-32-0
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Formula:
C8H12O4
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Chemical Name:
(±)-trans-1,2-Cyclohexanedicarboxylic acid
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Synonyms:
1,2-Cyclohexanedicarboxylic acid,(1R,2R)-rel-;1,2-Cyclohexanedicarboxylic acid,trans-;rel-(1R,2R)-1,2-Cyclohexanedicarboxylic acid;trans-1,2-Cyclohexanedicarboxylic acid;(±)-trans-1,2-Cyclohexanedicarboxylic acid;NSC 31593;610-10-6
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CAS No:
Characteristics
74.6
0.9
white crystalline powder
1.3±0.1 g/cm3
222 °C
384.1°C at 760 mmHg
200.3±22.4 °C
1.521
2g/L(20 ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
5.78E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
GU9065000
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(±)-trans-1,2-Cyclohexanedicarboxylic acid Use and Manufacturing
trans-1,2-cyclohexanedicarboxylic acid be used as organic intermediates.
1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:172.18
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:177
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(±)-trans-1,2-Cyclohexanedicarboxylic acid
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