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About This Item
Linear Formula:
BrC6H4NCS
CAS Number:
Molecular Weight:
214.08
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.6843 (lit.)
bp
257 °C/770 mmHg (lit.)
density
1.591 g/mL at 25 °C (lit.)
functional group
bromo
isothiocyanate
SMILES string
Brc1ccccc1N=C=S
InChI
1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI key
PAFORXDSYWMYGP-UHFFFAOYSA-N
Related Categories
Application
2-Bromophenyl isothiocyanate has been used in the synthesis of 4-monosubstituted and 4,4-disubstituted 1,4-dihydro-3,1-benzoxazine-2-thiones.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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One-pot synthesis of 1, 4-dihydro-3, 1-benzoxazine-2-thiones by the reaction of 2-lithiophenyl isothiocyanates with aldehydes or ketones.
Kobayashi K, et al.
Tetrahedron, 66(48), 9336-9339 (2010)
Fazila Rizvi et al.
Scientific reports, 9(1), 6738-6738 (2019-05-03)
A library of thiosemicarbazide derivatives of isoniazid 3-27, was synthesized and evaluated for their anti-inflammatory and urease inhibition activities, by using in vitro bioassays. Among these compounds 9, 10, 12, 21, and 26 were identified as new derivatives. Prolonged use
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