3-Bromophenyl isothiocyanate
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3-Bromophenyl isothiocyanate
structure -
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CAS No:
2131-59-1
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Formula:
C7H4BrNS
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Chemical Name:
3-Bromophenyl isothiocyanate
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Synonyms:
Benzene,1-bromo-3-isothiocyanato-;Isothiocyanic acid,m-bromophenyl ester;1-Bromo-3-isothiocyanatobenzene;m-Bromophenyl isothiocyanate;3-Bromophenyl isothiocyanate;m-Bromophenyl isothiocyanate
- Categories:
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CAS No:
3-Bromophenyl isothiocyanate Basic Attributes
214.08
214.08
2081173
210-753-9
DTXSID30175578
2930909090
Characteristics
44.4
3.18340
yellow liquid after melting
1.5g/cm3
256 °C
>110°C
1.685
24.41mg/L(25 ºC)
0.0253mmHg at 25°C
Safety Information
III
6.1
2810
3
36/37/38-20/21/22-42
36/37/39-26-45-36/37-22
NX8350000
Xn,C
P261-P280-P305 + P351 + P338-P342 + P311
H302 + H312 + H332-H315-H319-H334-H335
|Danger|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, 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:214.08
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:212.92478
Monoisotopic Mass:212.92478
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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