1,2,3-Trifluoro-4-nitrobenzene
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1,2,3-Trifluoro-4-nitrobenzene
structure -
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CAS No:
771-69-7
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Formula:
C6H2F3NO2
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Chemical Name:
1,2,3-Trifluoro-4-nitrobenzene
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Synonyms:
Benzene,1,2,3-trifluoro-4-nitro-;1,2,3-Trifluoro-4-nitrobenzene;2,3,4-Trifluoronitrobenzene;4-Nitro-1,2,3-trifluorobenzene;2,3,4-Trifluoro-1-nitrobenzene
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CAS No:
1,2,3-Trifluoro-4-nitrobenzene Basic Attributes
177.08
177.08
2449746
212-238-4
DTXSID30227889
2904909090
Characteristics
45.8
2.1
clear to yellowish liquid
1.6±0.1 g/cm3
92 °C @ Press: 20 Torr
200 °F
1.487
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
III
6.1
UN2810
3
20/21/22-36/37/38
26-36/37/39-24/25
Xn,Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 78 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,2,3-Trifluoro-4-nitrobenzene Use and Manufacturing
It is prepared by Schiemann reaction, nitration and fluorination with 2, 6-dichloroaniline as raw material.
This product is mainly used to synthesize a new generation of fluoroquinolone antibacterial drug fluazinic acid (ofloxacin). It can also be used to synthesize quinoxalic acid antibacterial drug Lomefloxacin, etc.
Computed Properties
Molecular Weight:177.08
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Exact Mass:177.00376279
Monoisotopic Mass:177.00376279
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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