1-(Isocyanatomethyl)-2-methylbenzene
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1-(Isocyanatomethyl)-2-methylbenzene
structure -
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CAS No:
56651-58-2
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Formula:
C9H9NO
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Chemical Name:
1-(Isocyanatomethyl)-2-methylbenzene
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Synonyms:
Benzene,1-(isocyanatomethyl)-2-methyl-;1-(Isocyanatomethyl)-2-methylbenzene;o-Methylbenzyl isocyanate;2-Methylbenzyl isocyanate
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CAS No:
Characteristics
29.4
1.83080
clear colorless to yellow liquid
1.0756 g/cm3 @ Temp: 20 °C
98-99 °C @ Press: 8 Torr
210 °F
n20/D 1.528(lit.)
2-8°C
Safety Information
UN 3334
3
22-37/38-41
26-39
Xn
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, 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:147.17
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(Isocyanatomethyl)-2-methylbenzene
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