2,5-Dimethylphenyl isocyanate
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2,5-Dimethylphenyl isocyanate
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CAS No:
40397-98-6
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Formula:
C9H9NO
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Chemical Name:
2,5-Dimethylphenyl isocyanate
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Synonyms:
Benzene,2-isocyanato-1,4-dimethyl-;2-Isocyanato-1,4-dimethylbenzene;2,5-Dimethylphenyl isocyanate;NSC 152098;1-Isocyanato-2,5-dimethylbenzene;Isocyanato-1,4-dimethylbenzene
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CAS No:
Description
clear colorless to slightly yellow liquid
2,5-dimethylphenyl isocyanate is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 5. It has a role as a hapten.
2,5-Dimethylphenyl isocyanate Basic Attributes
147.17
147.17
1100841
-0
4UPG772T8K
152098
DTXSID1068227
2929109000
Characteristics
29.4
3.50
clear colorless to slightly yellow liquid
1.0±0.1 g/cm3
210 °C(lit.)
195 °F
1.516
Refrigerator (+4°C)
Safety Information
III
6.1
UN 2206 6.1/PG 3
3
20/21/22-36/37/38
26-36
Xn
P260, P261, P264, P270, P271, P280, P284, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (11.63%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:147.17
XLogP3:3.5
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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