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4-sec-Butylphenyl isocyanate - 97%, high purity , CAS No.480439-26-7

COA

Grade & Purity:

≥97%

Cas Number: 480439-26-7
Molecular Weight: 175.23
PubChem CID: 4167303

In stock

Item Number

I170549

Grouped product items
SKU	Size	Availability	Price	Qty
I170549-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
I170549-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$566.90

Discover 4-sec-Butylphenyl isocyanate by Aladdin Scientific in 97% for only $161.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-(butan-2-yl)-4-isocyanatobenzene \| 4-sec-Butylphenyl isocyanate \| SCHEMBL3842072 \| DTXSID20400184 \| MFCD03701601 \| 1-butan-2-yl-4-isocyanatobenzene \| 1-sec-butyl-4-isocyanatobenzene \| STK502552 \| AKOS005171083 \| 4-sec-Butylphenyl isocyanate,97% \| BB 025
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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-butan-2-yl-4-isocyanatobenzene
INCHI	InChI=1S/C11H13NO/c1-3-9(2)10-4-6-11(7-5-10)12-8-13/h4-7,9H,3H2,1-2H3
InChIKey	SSMJMZXHYWSCET-UHFFFAOYSA-N
Smiles	CCC(C)C1=CC=C(C=C1)N=C=O
Isomeric SMILES	CCC(C)C1=CC=C(C=C1)N=C=O
Molecular Weight	175.23
Reaxy-Rn	11444888
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11444888&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	175.230 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	175.1 Da
Monoisotopic Mass	175.1 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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