Benzen-2,3,4,5,6-d5-amine
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Benzen-2,3,4,5,6-d5-amine
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CAS No:
4165-61-1
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Formula:
C6H2D5N
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Chemical Name:
Benzen-2,3,4,5,6-d5-amine
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Synonyms:
Benzen-2,3,4,5,6-d5-amine;Aniline-2,3,4,5,6-d5;Benzen-d5-amine;Phenyl-d5 amine;2,3,4,5,6-Pentadeuteroaniline;Aniline-d5;2,3,4,5,6-Pentadeuterioaniline
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CAS No:
Characteristics
26.02000
0.94
Clear orange to yellow-brown Liquid
1.0±0.1 g/cm3
-6 °C(lit.)
184 °C(lit.)
158 °F
1.579
2-8°C
0.7 mm Hg ( 25 °C)
3.22 (184 °C, vs air)
11%
Safety Information
UN 1547 6.1/PG 2
3
20/21/22-40-48/23/24/25-50-63-43-36/37/38-23/24/25-45-67
28-36/37-45-61-24/25-23-53-26-63-36/37/39-27
T,N,Xn
P261-P273-P280-P301 + P310-P311-P501
H301 + H311 + H331-H341-H351-H410
|Danger|H301+H311+H331 (97.44%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzen-2,3,4,5,6-d5-amine Use and Manufacturing
Labeled Aniline, intended for use as an internal standard for the quantification of Aniline by GC- or LC-mass spectrometry.
Computed Properties
Molecular Weight:98.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:98.089232957
Monoisotopic Mass:98.089232957
Topological Polar Surface Area:26
Heavy Atom Count:7
Complexity:46.1
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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