1,4-Benzene-2,3,5,6-d4-dicarboxylic acid
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1,4-Benzene-2,3,5,6-d4-dicarboxylic acid
structure -
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CAS No:
60088-54-2
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Formula:
C8H2D4O4
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Chemical Name:
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid
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Synonyms:
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid;Terephthalic-d4 acid;2,3,5,6-Tetradeuterioterephthalic acid
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CAS No:
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid Basic Attributes
170.16
166.026611
262-050-1
DTXSID90208831
28459010
Characteristics
74.6
2.00
White to off-white Powder or Needles
1.5±0.1 g/cm3
>300 °C(lit.)
392.4±25.0 °C at 760 mmHg
205.3±19.7 °C
1.618
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.15
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.05171565
Monoisotopic Mass:170.05171565
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:169
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,4-Benzene-2,3,5,6-d4-dicarboxylic acid
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