247189
4-Methoxyphenyl isothiocyanate
98%
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About This Item
Linear Formula:
CH3OC6H4NCS
CAS Number:
Molecular Weight:
165.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
218-921-3
Beilstein/REAXYS Number:
606967
MDL number:
Assay:
98%
Form:
liquid
Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.653 (lit.)
bp
280-281 °C (lit.)
mp
18 °C (lit.)
density
1.196 g/mL at 25 °C (lit.)
functional group
isothiocyanate
SMILES string
COc1ccc(cc1)N=C=S
InChI
1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3
InChI key
VRPQCVLBOZOYCG-UHFFFAOYSA-N
Application
4-Methoxyphenyl isothiocyanate has been used in the synthesis of:
- 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one
- 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides
signalword
Danger
hcodes
Hazard Classifications
Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
228.2 °F - closed cup
flash_point_c
109 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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M K Dewanjee et al.
Bioconjugate chemistry, 2(4), 195-200 (1991-07-01)
Radioactive and nonradioactive oligonucleotide (ON) probes have been used in a variety of studies of in vitro hybridization for locations of specific genes and determination of the level of mRNA transcription in activated and proliferative cells. Nuclease-resistant phosphorothioate derivatives of
Veerachamy Alagarsamy et al.
Bioorganic & medicinal chemistry, 15(10), 3457-3462 (2007-03-30)
A series of 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones have been synthesized by the cyclocondensation of 3-amino-2-benzylamino-3H-quinazolin-4-one with a variety of one-carbon donors. The starting material 3-amino-2-benzylamino-3H-quinazolin-4-one was synthesized from methyl anthranilate by a novel innovative route. The title compounds were evaluated for their in
Ahmet Demirbas et al.
European journal of medicinal chemistry, 44(7), 2896-2903 (2009-01-27)
4-Amino-2-[(5-arylamino-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-ones (3a-c) were obtained in acidic media via the formation of 2-[(4-amino-3-aryl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetyl]-N-arylhydrazinecarbothioamides (2a-c), and then, compound 3b was converted to methylated derivative, 4. The basic treatment of carbothioamide derivatives, 2a-c, afforded 4-amino-2-[(4-aryl-5-sulphanyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-ones (5a-c). The alkylation reactions of compounds 4H-1,2,4-triazol-3-ylmethyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one derivatives