3,4-Dihydroxy-5-nitrobenzaldehyde
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3,4-Dihydroxy-5-nitrobenzaldehyde
structure -
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CAS No:
116313-85-0
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Formula:
C7H5NO5
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Chemical Name:
3,4-Dihydroxy-5-nitrobenzaldehyde
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Synonyms:
Benzaldehyde,3,4-dihydroxy-5-nitro-;3,4-Dihydroxy-5-nitrobenzaldehyde;3-Nitro-4,5-dihydroxybenzaldehyde;4,5-Dihydroxy-3-nitrobenzaldehyde
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CAS No:
3,4-Dihydroxy-5-nitrobenzaldehyde Basic Attributes
183.12
183.12
601-421-8
34J6743XV2
DTXSID60151345
2913000090
Characteristics
103
1.1
Yellow color crystalline powder.
1.667±0.06 g/cm3(Predicted)
148-150 °C
310.9±42.0 °C(Predicted)
141.1±16.3 °C
1.719
0.000319mmHg at 25°C
Safety Information
25-36-43
26-36/37-45
CU5665000
T
P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P501
H302
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:183.12
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:183.01677226
Monoisotopic Mass:183.01677226
Topological Polar Surface Area:103
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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