2-Bromopropanedial
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2-Bromopropanedial
structure -
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CAS No:
2065-75-0
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Formula:
C3H3BrO2
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Chemical Name:
2-Bromopropanedial
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Synonyms:
Propanedial,2-bromo-;Malonaldehyde,bromo-;Propanedial,bromo-;2-Bromopropanedial;Bromomalonaldehyde;Bromomalondialdehyde;2-Bromomalondialdehyde;2-Bromo-1,3-propanedialdehyde;2-Bromomalonaldehyde;2-BromoPropane-1,3-dial;Bromopropanedial
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CAS No:
Characteristics
34.1
0.2
Light Yellow Solid
1.8±0.1 g/cm3
148 °C
134.8°C at 760 mmHg
69.5±9.7 °C
1.469
Keep Cold
7.95mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant/Keep Cold
P261-P305 + P351 + P338
H315-H319-H335
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Bromopropanedial Use and Manufacturing
It is used to construct 1,4-dihydroquinoline, and its C-3 chiral sulfoxide group can be used as a cyclic NADH model to participate in the asymmetric reduction of methyl benzoylformate to generate methyl phenethyl alcoholate. For the formation of glyoxal-derived adducts from the substituent guanine
Computed Properties
Molecular Weight:150.96
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:149.93164
Monoisotopic Mass:149.93164
Topological Polar Surface Area:34.1
Heavy Atom Count:6
Complexity:53.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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