5-Chloro-2-nitrobenzaldehyde
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5-Chloro-2-nitrobenzaldehyde
structure -
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CAS No:
6628-86-0
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Formula:
C7H4ClNO3
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Chemical Name:
5-Chloro-2-nitrobenzaldehyde
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Synonyms:
Benzaldehyde,5-chloro-2-nitro-;5-Chloro-2-nitrobenzaldehyde;2-Nitro-5-chlorobenzaldehyde;3-Chloro-6-nitrobenzaldehyde;NSC 59734;2130991-53-4
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CAS No:
5-Chloro-2-nitrobenzaldehyde Basic Attributes
185.56
185.56
229-614-9
8RDX889QNB
59734
DTXSID40216486
2913000090
Characteristics
62.9
1.9
Yellow Powder
1.5±0.1 g/cm3
78.5-79.5 °C @ Solvent: Diethyl ether, Ligroine
310.2°C at 760 mmHg
141.4±23.7 °C
1.630
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
9
UN30779/PG3
3
36/37/38-43-34-14/15-50/53
22-24/25-36/37-26-45-43-36/37/39-36-7/8-61
Xi,C,F,N
Irritant
Stable under normal temperatures and pressures.
P280-P305 + P351 + P338 + P310
H290-H315-H317-H318-H335-H400
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chloro-2-nitrobenzaldehyde Use and Manufacturing
The preparation method uses m-chlorobenzaldehyde as a raw material for nitration to obtain 5-chloro-2-nitrobenzaldehyde and 3-chloro-2-nitrobenzaldehyde, which are recrystallized in n-hexane-toluene to obtain products.
This product is the raw material of plant growth regulator indazole ethyl ester, and also a pharmaceutical intermediate.
Computed Properties
Molecular Weight:185.56
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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