1,3-Diisothiocyanatobenzene
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1,3-Diisothiocyanatobenzene
structure -
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CAS No:
3125-77-7
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Formula:
C8H4N2S2
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Chemical Name:
1,3-Diisothiocyanatobenzene
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Synonyms:
Benzene,1,3-diisothiocyanato-;Isothiocyanic acid,m-phenylene ester;1,3-Diisothiocyanatobenzene;m-Phenylenediisothiocyanate;m-Isothiocyanatophenyl isothiocyanate;NSC 511743;1,3-Phenylenediisothiocyanate;119305-43-0
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CAS No:
1,3-Diisothiocyanatobenzene Basic Attributes
192.26076
192.26
86M48KVG07
511743
DTXSID90185178
2930909090
Characteristics
88.90000
3.15520
1.2g/cm3
54.8-55.2 °C
358.8ºC at 760mmHg
180.8ºC
1.6000 (estimate)
3.845mg/L(25 ºC)
2-8°C
Safety Information
UN 3335
3
22-36/37/38-42
22-26-36/37
NX9160000
Xn
P261-P305 + P351 + P338-P342 + P311
H302-H315-H319-H334-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.3
XLogP3:4.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:191.98159048
Monoisotopic Mass:191.98159048
Topological Polar Surface Area:88.9
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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