CAS
99948-90-0 Purity
96%
99948-90-0 Purity
96%
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Benzoic acid,2-isothiocyanato-,ethyl ester
CAS
99960-09-5
Catalog Number
ACM99960095
Category
Other Products
Molecular Weight
207.249
Molecular Formula
C10H9NO2S
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Specification
Synonyms
Ethyl 2-isothiocyanatobenzoate, 2-Ethoxycarbonylphenyl isothiocyanate, 99960-09-5, 2-(ethoxycarbonyl)phenyl isothiocyanate, 2-isothiocyanatobenzoic acid ethyl ester, ZINC02168486, AC1LAXZF, ACMC-20aon5, 474959_ALDRICH, CTK5I0828, MolPort-000-155-080, BB_SC-1841, BBL010007, STK801395, AKOS003355347, MCULE-2595726889, 2-isothiocyanato-benzoic acid ethyl ester, KB-68608, FT-0612726, ST50825553
IUPAC Name
ethyl 2-isothiocyanatobenzoate
InChI Key
TYEPWLJHQLYWSR-UHFFFAOYSA-N
Boiling Point
150ºC (1 torr)
Flash Point
155.2ºC
Density
1.201
Exact Mass
207.03500
Hazard Statements
C: Corrosive;
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
WGK Germany
3
What is the molecular formula of Benzoic acid,2-isothiocyanato-,ethyl ester?
The molecular formula of Benzoic acid,2-isothiocyanato-,ethyl ester is C10H9NO2S.
What is the molecular weight of Benzoic acid,2-isothiocyanato-,ethyl ester?
The molecular weight of Benzoic acid,2-isothiocyanato-,ethyl ester is 207.25 g/mol.
What is the IUPAC name of Benzoic acid,2-isothiocyanato-,ethyl ester?
The IUPAC name of Benzoic acid,2-isothiocyanato-,ethyl ester is ethyl 2-isothiocyanatobenzoate.
What is the InChI of Benzoic acid,2-isothiocyanato-,ethyl ester?
The InChI of Benzoic acid,2-isothiocyanato-,ethyl ester is InChI=1S/C10H9NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h3-6H,2H2,1H3.
What is the InChIKey of Benzoic acid,2-isothiocyanato-,ethyl ester?
The InChIKey of Benzoic acid,2-isothiocyanato-,ethyl ester is TYEPWLJHQLYWSR-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzoic acid,2-isothiocyanato-,ethyl ester?
The Canonical SMILES of Benzoic acid,2-isothiocyanato-,ethyl ester is CCOC(=O)C1=CC=CC=C1N=C=S.
Does Benzoic acid,2-isothiocyanato-,ethyl ester have any CAS number?
Yes, Benzoic acid,2-isothiocyanato-,ethyl ester has a CAS number of 99960-09-5.
What is the European Community (EC) Number of Benzoic acid,2-isothiocyanato-,ethyl ester?
The European Community (EC) Number of Benzoic acid,2-isothiocyanato-,ethyl ester is 623-333-9.
What is the XLogP3 value of Benzoic acid,2-isothiocyanato-,ethyl ester?
The XLogP3 value of Benzoic acid,2-isothiocyanato-,ethyl ester is 4.2.
Is Benzoic acid,2-isothiocyanato-,ethyl ester a canonicalized compound?
Yes, Benzoic acid,2-isothiocyanato-,ethyl ester is a canonicalized compound.
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99951-00-5 Purity
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99951-00-5 Purity
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