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Phenyl isothiocyanate - 99%,for protein sequencing, high purity , CAS No.103-72-0

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Phenyl isothiocyanate - 99%,for protein sequencing, high purity , CAS No.103-72-0

30 Citations

COA

Grade & Purity:

for protein sequencing

≥99%

Cas Number: 103-72-0
Molecular Weight: 135.19
Beilstein Registry Number: 471392
EC Number: 203-138-1
MDL number: MFCD00004798
PubChem CID: 7673

In stock

Item Number

P110635

Grouped product items
SKU	Size	Availability	Price
P110635-5ml	5ml	3	$73.90
P110635-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$330.90
P110635-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,191.90

Basic Description

Synonyms	Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid \| Phenyl thioisocyanate \| AI3-09310 \| BCP22726 \| STL281854 \| A800790 \| Phenyl sothocyanate \| Phenylsenfoel [German] \| Phenyl isothiocyanat
Specifications & Purity	for protein sequencing, ≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	for protein sequencing

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	isothiocyanate
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MIF Tchem Macrophage migration inhibitory factor (979 Activities)

Discover Target: MIF

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sclerotinia sclerotiorum (877 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	isothiocyanatobenzene
INCHI	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey	QKFJKGMPGYROCL-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)N=C=S
Isomeric SMILES	C1=CC=C(C=C1)N=C=S
WGK Germany	3
RTECS	NX9275000
UN Number	2927
Packing Group	II
Molecular Weight	135.19
Beilstein	471392
Reaxy-Rn	471392
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471392&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
E2409081	Certificate of Analysis	Nov 21, 2022	P110635
L2205748	Certificate of Analysis	Nov 21, 2022	P110635
L2205749	Certificate of Analysis	Nov 21, 2022	P110635
L2205578	Certificate of Analysis	Nov 21, 2022	P110635
D1810003	Certificate of Analysis	Feb 21, 2022	P110635

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in alcohol and ether.
Sensitivity	Moisture Sensitive
Refractive Index	1.64918
Flash Point(°F)	190.4 °F
Flash Point(°C)	87℃
Boil Point(°C)	221°C
Melt Point(°C)	-21°C
Molecular Weight	135.190 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.014 Da
Monoisotopic Mass	135.014 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121.000
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

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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