3,5-Dichlorophenyl isocyanate
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3,5-Dichlorophenyl isocyanate
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CAS No:
34893-92-0
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Formula:
C7H3Cl2NO
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Chemical Name:
3,5-Dichlorophenyl isocyanate
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Synonyms:
Benzene,1,3-dichloro-5-isocyanato-;1,3-Dichloro-5-isocyanatobenzene;3,5-Dichlorophenyl isocyanate;3,5-Dichloro-1-isocyanatobenzene
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CAS No:
Description
white to slightly yellow low melting solid The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus
3,5-Dichlorophenyl isocyanate Basic Attributes
188.01
188.01
510282
252-276-9
DTXSID2067878
2929109000
Characteristics
29.4
4.03
White to slightly yellow Low Melting Solid
1.4±0.1 g/cm3
32-34 °C(lit.)
243 °C
>230 °F
1.575
decomposes
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
Safety Information
II
6.1
UN 2250 6.1/PG 2
3
23/24/25-36/37/38-42-26
26-27-36/37/39-45-38-37/39-28A
T,T+
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P280-P301 + P310-P305 + P351 + P338-P311
H301 + H311 + H331-H315-H319-H335
|Danger|H301 (29.41%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 136 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,5-Dichlorophenyl isocyanate Use and Manufacturing
The preparation method is to put toluene and 3, 5-dichloroaniline into the reaction kettle, after the 3, 5-dichloroaniline is completely dissolved, phosgene is controlled, the reaction temperature is -10～0℃, and the phosgene time is about After 6h, the phosgene is passed through, the material is transferred to the hot reaction kettle, heated to about 105°C, the material becomes transparent, and then keeps refluxing for a certain period of time. Nitrogen is introduced to drive away phosgene and hydrogen chloride, which is destroyed by a special absorption device. After driving, the material is reduced to room temperature to be the product.
3,5-Dichlorophenyl isocyanate is an intermediate of the fungicide isoflurane.
< 25,000 lb
Benzene, 1,3-dichloro-5-isocyanato-: ACTIVE
Computed Properties
Molecular Weight:188.01
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.9591691
Monoisotopic Mass:186.9591691
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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