4-ETHYLPHENYL ISOTHIOCYANATE
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4-ETHYLPHENYL ISOTHIOCYANATE
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CAS No:
18856-63-8
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Formula:
C9H9NS
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Chemical Name:
4-ETHYLPHENYL ISOTHIOCYANATE
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Synonyms:
4-ETHYLPHENYL ISOTHIOCYANATE 99%;4-ETHYLPHENYL ISOTHIOCYANATE;AKOS B016341;1-Ethyl-4-isothiocyanatobenzene
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CAS No:
Characteristics
44.4
2.98330
clear, pale yellow liquid
1.075 g/mL at 25 °C(lit.)
245 °C(lit.)
>230 °F
n 20/D 1.62(lit.)
0.0229mmHg at 25°C
Safety Information
III
8
UN 3265 8/PG 3
3
34
23-26-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H302 (11.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.24
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CINNAMOYL ISOTHIOCYANATE Structure
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