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Cyclohexyl isothiocyanate - >98.0%(GC), high purity , CAS No.1122-82-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 1122-82-3
Molecular Weight: 141.23
Beilstein Registry Number: 774525
EC Number: 214-361-9
MDL number: MFCD00003841
PubChem CID: 14289

In stock

Item Number

C140271

Grouped product items
SKU	Size	Availability	Price
C140271-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C140271-5g	5g	3	$22.90
C140271-25g	25g	3	$34.90
C140271-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$124.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	Isothiocyanic acid, cyclohexyl ester \| Cyclohexane, isothiocyanato- \| EINECS 214-361-9 \| F0001-0272 \| NSC 60129 \| Cyclohexyl-isothiocyanat [German] \| cylcohexyl isothiocyanate \| Cyclohexyl isothiocyanate, 98% \| Cyclohexyl-isothiocyanat \| AKOS000120219 \|
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	isothiocyanatocyclohexane
INCHI	InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey	MZSJGCPBOVTKHR-UHFFFAOYSA-N
Smiles	C1CCC(CC1)N=C=S
Isomeric SMILES	C1CCC(CC1)N=C=S
WGK Germany	3
RTECS	NX8480000
Molecular Weight	141.23
Beilstein	774525
Reaxy-Rn	774525
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774525&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.

7 results found

Lot Number	Certificate Type	Date	Item
H2408358	Certificate of Analysis	Apr 25, 2024	C140271
G2404498	Certificate of Analysis	Apr 25, 2024	C140271
G2404500	Certificate of Analysis	Apr 25, 2024	C140271
E2316519	Certificate of Analysis	May 08, 2023	C140271
E2316515	Certificate of Analysis	May 08, 2023	C140271
E2316524	Certificate of Analysis	May 08, 2023	C140271
H1907057	Certificate of Analysis	May 08, 2023	C140271

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Refractive Index	1.5330-1.5390
Flash Point(°F)	203 °F
Flash Point(°C)	95 °C
Boil Point(°C)	219 °C
Molecular Weight	141.240 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	141.061 Da
Monoisotopic Mass	141.061 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

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