3-IODOPHENYLISOTHIOCYANATE
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3-IODOPHENYLISOTHIOCYANATE
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CAS No:
3125-73-3
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Formula:
C7H4INS
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Chemical Name:
3-IODOPHENYLISOTHIOCYANATE
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Synonyms:
1-iodo-3-isothiocyanatobenzene;3-iodophenylisothiocyanate;3-IPI;isothiocyanic acid, m-iodophenyl ester;m-iodophenylisothiocyanate;3-Iodophenyl isothiocyanate;Benzene, 1-iodo-3-isothiocyanato-
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CAS No:
Characteristics
44.4
3.02550
1.76 g/cm3
45-48 °C(lit.)
318.1ºC at 760 mmHg
230 °F
1.672
5.483mg/L(25 ºC)
Safety Information
II
6.1
UN 2811 6.1/PG 3
3
22-36-43
26-36/37
Xn
P280-P301 + P310-P305 + P351 + P338
H301-H317-H319-H413
|Danger|H301 (88.89%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:261.08
XLogP3:4.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:260.91092
Monoisotopic Mass:260.91092
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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