(±)-1-Phenylethyl isothiocyanate
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For more informationemailINFO@PARCHEM.COM
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Product Description
Product
(±)-1-Phenylethyl isothiocyanate
CAS
4478-92-6
Formula
C9 H9 N S; C9H9NS
Synonym
1-PHENYLETHYL ISOTHIOCYANATE; dl-à-methylbenzyl isothiocyanate; alpha-Methylbenzyl isothiocyanate; (±)-1-Phenylethylisothiocyanate,97%; (n)-1-phenylethyl isothiocyanate; DL-alpha-Methylbenzyl isothiocyanate,98%; 1-Phenethylisothiocyanate , 97%; isothiocyanicacid,(alpha-methylbenzyl)ester; Isothiocyanic acid, (alpha-methylbenzyl) ester; Benzene, (1-isothiocyanatoethyl)- (9CI); NSC 221236
Typical Product Specifications
Molecular weight
163.24
SMILES
c1([C@@H](N=C=S)C)ccccc1
InChI
QQCJPTVZIZVKEZ-UHFFFAOYSA-N
InChIKey
1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
log P (octanol-water)
3.46
Vapor Pressure
0.011 mm Hg
Water solubility
73.4 mg/L
Atmospheric OH Rate Constant
6.73E-12 cm3/molecule-sec
Henry's Law Constant
3.33E-04 atm-m3/mole
Class
(±)-1-Phenylethyl isothiocyanate
For more information call (914) 654-6800or email INFO@PARCHEM.COM
(914) 654-6800
INFO@PARCHEM.COM
For more informationemailINFO@PARCHEM.COM
email
INFO@PARCHEM.COM
Product Description
Product
(±)-1-Phenylethyl isothiocyanate
CAS
4478-92-6
Formula
C9 H9 N S; C9H9NS
Synonym
1-PHENYLETHYL ISOTHIOCYANATE; dl-à-methylbenzyl isothiocyanate; alpha-Methylbenzyl isothiocyanate; (±)-1-Phenylethylisothiocyanate,97%; (n)-1-phenylethyl isothiocyanate; DL-alpha-Methylbenzyl isothiocyanate,98%; 1-Phenethylisothiocyanate , 97%; isothiocyanicacid,(alpha-methylbenzyl)ester; Isothiocyanic acid, (alpha-methylbenzyl) ester; Benzene, (1-isothiocyanatoethyl)- (9CI); NSC 221236
Typical Product Specifications
Molecular weight
163.24
SMILES
c1([C@@H](N=C=S)C)ccccc1
InChI
QQCJPTVZIZVKEZ-UHFFFAOYSA-N
InChIKey
1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
log P (octanol-water)
3.46
Vapor Pressure
0.011 mm Hg
Water solubility
73.4 mg/L
Atmospheric OH Rate Constant
6.73E-12 cm3/molecule-sec
Henry's Law Constant
3.33E-04 atm-m3/mole
Class
