475955
3-Methoxyphenyl isothiocyanate
98%
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About This Item
Linear Formula:
CH3OC6H4NCS
CAS Number:
Molecular Weight:
165.21
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
InChI
1S/C8H7NOS/c1-10-8-4-2-3-7(5-8)9-6-11/h2-5H,1H3
SMILES string
COc1cccc(c1)N=C=S
InChI key
WHBYCPUKGYEYFU-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.64 (lit.)
bp
129 °C/11 mmHg (lit.)
density
1.179 g/mL at 25 °C (lit.)
functional group
isothiocyanate
General description
3-Methoxyphenyl isothiocyanate, also referred as m-methoxyphenyl isothiocyanate, is an iosthiocyanate derivative.
Application
3-Methoxyphenyl isothiocyanate may be used in the synthesis of the following:
- 2-[(3-methoxyphenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
- N-2 pyridyl-N′-3-methoxyphenylthioureas
- acylthiosemicarbazides
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Skin Sens. 1
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Yalkowsky SH, et al.
Handbook of Aqueous Solubility Data, 465-465 (2010)
Synthesis and antimicrobial activity of novel naphtho [2, 1-b] furo-5H-[3, 2-d][1, 3, 4] thiadiazolo [3, 2-a] pyrimidin-5-ones.
Ravindra KC, et al.
ARKIVOC (Gainesville, FL, United States), 11(1) (2008)
Acton QA.
Issues in Chemistry and General Chemical Research, 170-170 (2013)
Structural, thermal and spectral studies of N-2-pyridyl-, N-2-picolyl-and N-2-(4, 6-lutidyl)-N'-(3-methoxyphenyl) thioureas.
Giesen JM, et al.
Journal of Molecular Structure, 613(1), 223-233 (2002)
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