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Heptyl Isocyanate - >97.0%(GC), high purity , CAS No.4747-81-3

COA

Grade & Purity:

≥97%(GC)

Cas Number: 4747-81-3
Molecular Weight: 141.21
Beilstein Registry Number: 4(4)741
MDL number: MFCD00144892
PubChem CID: 138341

In stock

Item Number

H157417

Grouped product items
SKU	Size	Availability	Price
H157417-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
H157417-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
H157417-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$319.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	n-Heptyl isocyanate \| 1-ISOCYANATOHEPTAN-2-YL \| Heptane, 1-isocyanato- \| n-Heptyl isocyanate;Heptyl isocyanate \| SCHEMBL67024 \| 1-heptyl isocyanate \| Heptyl isocyanate \| MFCD00144892 \| N-HEPTYLISOCYANATE \| DTXSID10197152 \| GEO-01474 \| heptylisocyanate \| F
Specifications & Purity	≥97%(GC)
Storage Temp	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Isocyanates

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Isocyanates
Intermediate Tree Nodes	Not available
Direct Parent	Isocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
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	1-isocyanatoheptane
INCHI	InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3
InChIKey	RFXBSYPBSRSQDU-UHFFFAOYSA-N
Smiles	CCCCCCCN=C=O
Isomeric SMILES	CCCCCCCN=C=O
WGK Germany	3
Molecular Weight	141.21
Beilstein	4(4)741
Reaxy-Rn	1754817
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754817&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture & heat sensitive
Refractive Index	1.43
Flash Point(°F)	145.4 °F
Flash Point(°C)	62°C(lit.)
Boil Point(°C)	184°C(lit.)
Molecular Weight	141.210 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	141.115 Da
Monoisotopic Mass	141.115 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106.000
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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