3,4-Dimethylphenyl isocyanate
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3,4-Dimethylphenyl isocyanate
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CAS No:
51163-27-0
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Formula:
C9H9NO
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Chemical Name:
3,4-Dimethylphenyl isocyanate
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Synonyms:
Benzene,4-isocyanato-1,2-dimethyl-;4-Isocyanato-1,2-dimethylbenzene;3,4-Dimethylphenyl isocyanate;3,4-Xylyl isocyanate;1-Isocyanato-3,4-dimethylbenzene
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CAS No:
Description
3,4-dimethylphenyl isocyanate is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has a role as a hapten.
Safety Information
III
6.1
UN 2206 6.1/PG 2
R23/25; R36/37/38; R42
S23-S26-S36/37/39-S45
Xn
|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:147.17
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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