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Pentyl isocyanate - 97%, high purity , CAS No.3954-13-0

COA

Grade & Purity:

≥97%

Cas Number: 3954-13-0
Molecular Weight: 113.16
PubChem CID: 206036
PubChem SID: 488188621

In stock

Item Number

P352487

Grouped product items
SKU	Size	Availability	Price
P352487-250mg	250mg	4	$10.90
P352487-1g	1g	3	$32.90
P352487-5g	5g	3	$145.90

Discover Pentyl isocyanate by Aladdin Scientific in 97% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	pentylisocyanate \| n-Pentyl isocyanate \| 1-Pentyl isocyanate \| A824610 \| FT-0627397 \| Amylisocyanat \| Pentyl isocyanate, 98% \| AKOS009156439 \| EN300-144846 \| n-pentylisocyanate \| GEO-02093 \| MFCD00144846 \| Pentane, 1-isocyanato- \| DTXSID10192662 \| SCHEMBL
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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

Pubchem Sid	488188621
IUPAC Name	1-isocyanatopentane
INCHI	InChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChIKey	VRVUKQWNRPNACD-UHFFFAOYSA-N
Smiles	CCCCCN=C=O
Isomeric SMILES	CCCCCN=C=O
PubChem CID	206036
Molecular Weight	113.16

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.

4 results found

Lot Number	Certificate Type	Date	Item
C2507102	Certificate of Analysis	Feb 15, 2023	P352487
C2311448	Certificate of Analysis	Feb 15, 2023	P352487
C2311449	Certificate of Analysis	Feb 15, 2023	P352487
C2311452	Certificate of Analysis	Feb 15, 2023	P352487

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.414 (lit.)
Boil Point(°C)	136-137 °C (lit.)
Molecular Weight	113.160 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	113.084 Da
Monoisotopic Mass	113.084 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.500
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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