3,5-DIMETHYLPHENYLISOTHIOCYANATE
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3,5-DIMETHYLPHENYLISOTHIOCYANATE
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CAS No:
40046-30-8
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Formula:
C9H9NS
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Chemical Name:
3,5-DIMETHYLPHENYLISOTHIOCYANATE
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Synonyms:
3,5-Dimethylphenyl isothiocyanate;1-Isothiocyanato-3,5-dimethylbenzene;3,5-dimethylphenylisothiocyanate;3,5-dimethylbenzenisothiocyanate;ACMC-20anca;3,5-Xylyl isothiocyanate;SCHEMBL1020699;CTK8C5969;DTXSID30193111;ZINC4255654
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CAS No:
3,5-DIMETHYLPHENYLISOTHIOCYANATE Basic Attributes
163.24
163.04600
6856812
-0
DTXSID30193111
2930909090
Safety Information
III
6.1
2810
20/21/22-36/37/38
26-36/37/39
Xn:Harmful;
P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H301+H331
|Danger|H301+H331 (16.67%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.24
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3,5-DIMETHYLPHENYLISOTHIOCYANATE
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CN
2 YRS
Business licensedDistributor Supplier of peptoneInquiryCAS No.: 40046-30-8Grade: Pharmaceutical GradeContent: 99%
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3,5-DIMETHYLPHENYLISOTHIOCYANATE
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