trans-DL-1,2-Cyclopentanedicarboxylic acid
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trans-DL-1,2-Cyclopentanedicarboxylic acid
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CAS No:
1461-97-8
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Formula:
C7H10O4
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Chemical Name:
trans-DL-1,2-Cyclopentanedicarboxylic acid
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Synonyms:
1,2-CYCLOPENTANEDICARBOXYLIC ACID:98+%;trans-Cyclopentane-1,2-dicarboxylic acid;1,2-Cyclopentane DiforMic Acid;trans-DL-1,2-Cyclopentanedicarboxylic acid;Transpentane-1,2-dicarboxylic acid;TRANS-DL-1,2-CYCLOPENTANEDICARBOXYLIC ACID;TRANS-DL-CYCLOPENTANE-1,2-DICARBOXYLIC ACID;trans-DL-1,2-Cyclopentanedicarboxylic acid 98%
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CAS No:
trans-DL-1,2-Cyclopentanedicarboxylic acid Basic Attributes
158.15
158.15
215-962-9
TSCA listed
Off-white
2917200090
Characteristics
74.60000
0.07
1.396±0.06 g/cm3(Predicted)
163-165 °C(lit.)
46-49 °C(Press: 110 Torr)
196.9±22.4 °C
1.535
8.88E-07mmHg at 25°C
pK1:3.96;pK2:5.85 (25°C)
Sealed in dry,Room Temperature
Safety Information
NONH for all modes of transport
3
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
trans-DL-1,2-Cyclopentanedicarboxylic acid Use and Manufacturing
trans-1,2-Cyclopentanedicarboxylic Acid is used as a reagent in the synthesis of isoxazoline and oxazoline analogs of CDA54 as voltage gated sodium channel blockers. trans-1,2-Cyclopentanedicarboxylic Acid is also a reagent in the preparation of cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.
1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-: INACTIVE
Computed Properties
Molecular Weight:158.15
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:158.05790880
Monoisotopic Mass:158.05790880
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:167
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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trans-DL-1,2-Cyclopentanedicarboxylic acid
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