4-Methylphenyl Isothiocyanate

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Product Description

Product
4-Methylphenyl Isothiocyanate
CAS
622-59-3
Formula
C8H7NS
Synonym
4-Tolyl isothiocyanate; 4-12-00-01938 (Beilstein Handbook Reference); p-Tolyl isothiocyanate; 4-Methylphenyl isothiocyanate; p-Methylphenyl isothiocyanate; EINECS 210-745-5; 1-Isothiocyanato-4-methylbenzene; 4-Tolylisothiocyanate; Isothiocyanic acid, p-tolyl ester; Isothiocyanic acid, 4-tolyl ester; BRN 0386032

Typical Product Specifications

Molecular weight
149.21
SMILES
c1(ccc(C)cc1)N=C=S
InChI
1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey
ABQKHKWXTUVKGF-UHFFFAOYSA-N
Henry's Law Constant
8.62E-04 atm-m3/mole
log P (octanol-water)
3.92
Boiling Point
237 ° C
Atmospheric OH Rate Constant
5.72E-12 cm3/molecule-sec
Vapor Pressure
0.030 mm Hg
Water solubility
2.84 mg/L
Melting Point
25-26 ° C
Class
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4-Methylphenyl Isothiocyanate
iso certificate
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For more information call
phone_icon
(914) 654-6800
or email
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INFO@PARCHEM.COM

For more information

Product Description

Product
4-Methylphenyl Isothiocyanate
CAS
622-59-3
Formula
C8H7NS
Synonym
4-Tolyl isothiocyanate; 4-12-00-01938 (Beilstein Handbook Reference); p-Tolyl isothiocyanate; 4-Methylphenyl isothiocyanate; p-Methylphenyl isothiocyanate; EINECS 210-745-5; 1-Isothiocyanato-4-methylbenzene; 4-Tolylisothiocyanate; Isothiocyanic acid, p-tolyl ester; Isothiocyanic acid, 4-tolyl ester; BRN 0386032

Typical Product Specifications

Molecular weight
149.21
SMILES
c1(ccc(C)cc1)N=C=S
InChI
1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey
ABQKHKWXTUVKGF-UHFFFAOYSA-N
Henry's Law Constant
8.62E-04 atm-m3/mole
log P (octanol-water)
3.92
Boiling Point
237 ° C
Atmospheric OH Rate Constant
5.72E-12 cm3/molecule-sec
Vapor Pressure
0.030 mm Hg
Water solubility
2.84 mg/L
Melting Point
25-26 ° C
Class
Get a quote
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