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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzoyl Isothiocyanate - ≥97%(GC) , CAS No.532-55-8
Synonyms
benzoyl isothiocyante | AMY40206 | EN300-21084 | SCHEMBL8396 | Benzoylthiocarbimide | C20170 | AKOS000120798 | benzoyl isothiocynate | BP-24277 | ISOTHIOCYANIC ACID, ANHYDRIDE WITH BENZOIC ACID | n-benzoyl isothiocyanate | J-801005 | 1-benzenecarbonyl iso
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Product Application:
Phenyl isothiocyanate is used to prepare: 1-benzoyl-3 - (5-chloro-2-hydroxy-phenyl) thiourea, a new thiourea derivative; guanine
Specifications Synonyms
benzoyl isothiocyante | AMY40206 | EN300-21084 | SCHEMBL8396 | Benzoylthiocarbimide | C20170 | AKOS000120798 | benzoyl isothiocynate | BP-24277 | ISOTHIOCYANIC ACID, ANHYDRIDE WITH BENZOIC ACID | n-benzoyl isothiocyanate | J-801005 | 1-benzenecarbonyl iso
Specifications & Purity
≥97%(GC)
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488184119 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184119 Canonical Smiles C1=CC=C(C=C1)C(=O)N=C=S IUPAC Name benzoyl isothiocyanate InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N INCHI 1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H Isomeric SMILES C1=CC=C(C=C1)C(=O)N=C=S WGK Germany 3 UN Number 2810 Packing Group III Molecular Weight 163.19 Beilstein 606716 Reaxy-Rn 606716 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606716&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acids and derivatives Alternative Parents Benzoyl derivatives Isothiocyanate acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid or derivatives - Benzoyl - Isothiocyanate acid - Isothiocyanate - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Decomposes in contact with water, insoluble Sensitivity Moisture Sensitive Refractive Index 1.64 Flash Point(°F) 235.4 °F Flash Point(°C) 113 °C Boil Point(°C) 128-131 ℃ (15 mmHg) Molecular Weight 163.200 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 163.009 Da Monoisotopic Mass 163.009 Da Topological Polar Surface Area 61.500 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 190.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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