3-Chlorophenyl isocyanate
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3-Chlorophenyl isocyanate
structure -
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CAS No:
2909-38-8
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Formula:
C7H4ClNO
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Chemical Name:
3-Chlorophenyl isocyanate
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Synonyms:
Benzene,1-chloro-3-isocyanato-;Isocyanic acid,m-chlorophenyl ester;1-Chloro-3-isocyanatobenzene;m-Chlorophenyl isocyanate;3-Chlorophenyl isocyanate;3-Chloroisocyanatobenzene;NSC 76588;1-Isocyanato-3-chlorobenzene;3-Chloro-1-isocyanatobenzene
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CAS No:
3-Chlorophenyl isocyanate Basic Attributes
153.57
153.57
742445
220-822-5
Y54698FM83
76588
DTXSID1062702
2929109000
Characteristics
29.4
3.30
Clear colorless to slightly yellow Liquid
1.2±0.1 g/cm3
-4 °C
113-114 °C
188 °F
1.551
Decomposes
0-10°C
0.19 mmHg
Safety Information
III
6.1
UN 2206 6.1/PG 2
2
26-35-37-42-36/37/38
23-26-28-36/37/39-45-38-37/39-28A-22
NQ8560000
T+
P260-P280-P284-P305 + P351 + P338-P310
H314-H330-H334
|Danger|H314 (94.37%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P272, P273, P280, P284, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P320, P321, P333+P313, P342+P311, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 71 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chlorophenyl isocyanate Use and Manufacturing
The preparation method is to add toluene into the reaction kettle, pass a certain amount of phosgene under cooling, then add the toluene solution of m-chloroaniline dropwise to the reaction kettle, continue stirring for a certain period of time after the addition, and then transfer the materials. In the hot reaction kettle, continue to pass in phosgene and slowly raise the temperature to a certain temperature. At this time, a large amount of hydrogen chloride and phosgene escape, which are absorbed by toluene after condensation, and continue to pass in phosgene to react until the material is transparent. End. Blow in nitrogen to drive off phosgene and hydrogen chloride, then move the materials to a desolventizing kettle, and desolvate toluene to obtain a finished product.
3-chlorophenyl isocyanate is an intermediate of the herbicide chloramphenicol.
Benzene, 1-chloro-3-isocyanato-: ACTIVE
Computed Properties
Molecular Weight:153.56
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:152.9981414
Monoisotopic Mass:152.9981414
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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