2,5-DICHLOROPHENYLISOTHIOCYANATE
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2,5-DICHLOROPHENYLISOTHIOCYANATE
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CAS No:
3386-42-3
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Formula:
C7H3Cl2NS
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Chemical Name:
2,5-DICHLOROPHENYLISOTHIOCYANATE
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Synonyms:
2,5-Dichlorophenyl isothiocyanate;1,4-Dichloro-2-isothiocyanatobenzene;3-Aminoisobutyricacid;Benzene, 1,4-dichloro-2-isothiocyanato-;ACMC-1CJOX;SCHEMBL1020285;2,5-dichlorobenzenisothiocyanate;CTK4H1345;DTXSID70187493;ZINC164766
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CAS No:
Characteristics
44.4
3.72770
1.425 g/mL at 25 °C(lit.)
145-147 °C15 mm Hg(lit.)
>230 °F
n20/D 1.67(lit.)
Safety Information
UN 3334
3
34
26-27-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:204.08
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:202.9363257
Monoisotopic Mass:202.9363257
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-DICHLOROPHENYLISOTHIOCYANATE
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