Benzoic-2,3,4,5,6-d5 acid
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Benzoic-2,3,4,5,6-d5 acid
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CAS No:
1079-02-3
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Formula:
C7HD5O2
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Chemical Name:
Benzoic-2,3,4,5,6-d5 acid
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Synonyms:
Benzoic-2,3,4,5,6-d5 acid;Benzoic-d5 acid;Benzoic acid-d5;Pentadeuteriobenzoic acid;2,3,4,5,6-Pentadeuteriobenzoic acid
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CAS No:
Characteristics
37.30000
1.89
1.2±0.1 g/cm3
122 °C @ Solvent: Water
249 °C(lit.)
121.1±0.0 °C
1.564
Refrigerator
Safety Information
3
22-37/38-41-42/43
22-26-36
Xn
P261-P280-P305 + P351 + P338-P342 + P311
H302-H315-H317-H318-H334-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P342+P311, P362, P363, 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.
Benzoic-2,3,4,5,6-d5 acid Use and Manufacturing
Labeled Benzoic Acid, intended for use as an internal standard for the quantification of Benzoic Acid by GC- or LC-mass spectrometry.
Computed Properties
Molecular Weight:127.15
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.068163160
Monoisotopic Mass:127.068163160
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:104
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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