4-Chloro-2-methoxy-1-nitrobenzene
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4-Chloro-2-methoxy-1-nitrobenzene
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CAS No:
6627-53-8
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Formula:
C7H6ClNO3
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Chemical Name:
4-Chloro-2-methoxy-1-nitrobenzene
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Synonyms:
Benzene,4-chloro-2-methoxy-1-nitro-;Anisole,5-chloro-2-nitro-;4-Chloro-2-methoxy-1-nitrobenzene;2-Nitro-5-chloroanisole;4-Chloro-2-methoxynitrobenzene;5-Chloro-2-nitroanisole;1-Chloro-3-methoxy-4-nitrobenzene;2-Methoxy-4-chloronitrobenzene;5-Chloro-2-nitrophenyl methyl ether;NSC 60112;4-Chloro-2-(methyloxy)-1-nitrobenzene;3-Methoxy-4-nitro-1-chlorobenzene
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CAS No:
4-Chloro-2-methoxy-1-nitrobenzene Basic Attributes
187.58
187.58
229-594-1
SVY2LTV7GJ
60112
DTXSID4064426
2909309090
Characteristics
55
2.4
slightly yellow to green crystalline powder
1.4±0.1 g/cm3
70 °C @ Solvent: Methanol
289.1°C at 760 mmHg
128.7±21.8 °C
1.560
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39-36
Xi
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-2-methoxy-1-nitrobenzene Use and Manufacturing
5-Chloro-2-nitroanisole is involved in the synthesis of orally bioavailable anaplastic lymphoma kinases (ALK) inhibitors as anticancer drugs. In addition it is used in the synthesis of kinesin spindle protein (KSP) inhibitors which are responsible for the spindle pole separation which occurs during mitosis in cancer cells.
Benzene, 4-chloro-2-methoxy-1-nitro-: INACTIVE
Computed Properties
Molecular Weight:187.58
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.0036207
Monoisotopic Mass:187.0036207
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-2-methoxy-1-nitrobenzene
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