Benzenemethanamine, 4-nitro-, hydrochloride (1:1)
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Benzenemethanamine, 4-nitro-, hydrochloride (1:1)
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CAS No:
18600-42-5
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Formula:
C7H8N2O2.ClH
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Chemical Name:
Benzenemethanamine, 4-nitro-, hydrochloride (1:1)
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Synonyms:
Benzenemethanamine,4-nitro-,hydrochloride (1:1);Benzylamine,p-nitro-,monohydrochloride;Benzenemethanamine,4-nitro-,monohydrochloride;Benzylamine,p-nitro-,hydrochloride;p-Nitrobenzylamine hydrochloride;4-Nitrobenzylamine hydrochloride;4-Nitrobenzenemethanamine hydrochloride;(4-Nitrophenyl)methanamine hydrochloride
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CAS No:
Benzenemethanamine, 4-nitro-, hydrochloride (1:1) Basic Attributes
188.61
188.035248
3629994
242-441-3
29214990
Characteristics
71.8
225 °C
133.7ºC
H2O: almost transparency;methanol:glacial acetic acid (1:1): soluble 25mg/mL, clear, colorless to light yellow
Safety Information
III
6.1(b)
2811
3
36/37/38
26-36
DP6705000
Xi,T
Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents.
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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzenemethanamine, 4-nitro-, hydrochloride (1:1) Use and Manufacturing
General procedure: To a nitrogen purged screw-caped vial containing 1a (1.0 g, 5.1 mmol, 1.0 equiv) in 6.0 mL of toluene were added TMDS (900 μL, 5.1 mmol, 1.0 equiv) or PMHS (610 μL, 10.2 mmol, 2.0 equiv) and Ti(Oi-Pr)
Computed Properties
Molecular Weight:188.61
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.0352552
Monoisotopic Mass:188.0352552
Topological Polar Surface Area:73.5
Heavy Atom Count:12
Complexity:136
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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