4-ISOCYANATOBENZOYLCHLORIDE
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4-ISOCYANATOBENZOYLCHLORIDE
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CAS No:
3729-21-3
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Formula:
C8H4ClNO2
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Chemical Name:
4-ISOCYANATOBENZOYLCHLORIDE
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Synonyms:
4-ISOCYANATOBENZOYLCHLORIDE;P-ISOCYANATOBENZOYLCHLORIDE;4-Isocyanatobenzoylchloride,98%;4-ISOCYANATOBENZOYLCHLORIDE98%;Benzoylchloride,4-isocyanato-(9CI)
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CAS No:
Characteristics
46.50000
2.03290
Light yellow Crystalline Mass
1.28g/cm3
36-38 °C(lit.)
54-55 °C0.07 mm Hg(lit.)
>230 °F
1.567
Safety Information
III
8
UN 3261 8/PG 2
3
20/21/22-34-36/37-42/43
26-27-28-36/37/39-45
C
P261-P280-P305 + P351 + P338-P310
H302-H312-H314-H317-H332-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.57
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.9930561
Monoisotopic Mass:180.9930561
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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