1-Ethyl-2-isothiocyanatobenzene
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1-Ethyl-2-isothiocyanatobenzene
structure -
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CAS No:
19241-19-1
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Formula:
C9H9NS
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Chemical Name:
1-Ethyl-2-isothiocyanatobenzene
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Synonyms:
Benzene,1-ethyl-2-isothiocyanato-;Isothiocyanic acid,o-ethylphenyl ester;1-Ethyl-2-isothiocyanatobenzene;2-Ethylphenyl isothiocyanate;o-Ethylphenyl isothiocyanate;2-Ethyl-1-isothiocyanatobenzene
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CAS No:
Characteristics
44.4
2.98330
1.076 g/mL at 25 °C(lit.)
249-253 °C(lit.)
>230 °F
n 20/D 1.62(lit.)
0.0155mmHg at 25°C
Safety Information
III
6.1
2811
3
36/37/38
26-36
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, 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
XLogP3:4.1
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:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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