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4-Octylphenyl isocyanate - 98%, high purity , CAS No.69342-46-7

≥98%

CAS#: 69342-46-7 View More⌵
Molecular Weight: 231.33
PubChem CID: 3702656

Item Number

O338590

Grouped product items
SKU	Size	Availability	Price	Qty
O338590-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90	+-
O338590-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$456.90	+-

a synthesis reagent

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Isocyanates (15)

Basic Description

Synonyms	ZOSTXKYJDXPWKN-UHFFFAOYSA-N \| 4-OCTYLPHENYL ISOCYANATE, 97% \| 1-isocyanato-4-octylbenzene \| p-octylphenylisocyanate \| SCHEMBL673425 \| DTXSID50395256 \| 4-Octylphenyl isocyanate
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice
Product Description	4-Octylphenyl isocyanate is a reagent used in the synthesis of a 2,5-Dideoxystreptamine derivative. 2,5-Dideoxystreptamine derivatives have been shown to inhibit Prohormone Convertases PC1/3 and PC2.

Names and Identifiers

IUPAC Name	1-isocyanato-4-octylbenzene
INCHI	InChI=1S/C15H21NO/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)16-13-17/h9-12H,2-8H2,1H3
InChi Key	ZOSTXKYJDXPWKN-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCC1=CC=C(C=C1)N=C=O
Isomeric SMILES	CCCCCCCCC1=CC=C(C=C1)N=C=O
PubChem CID	3702656
Molecular Weight	231.33

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
C2407435	Certificate of Analysis	Feb 27, 2024	O338590
C2407437	Certificate of Analysis	Feb 27, 2024	O338590
C2407438	Certificate of Analysis	Feb 27, 2024	O338590

Chemical and Physical Properties

Boil Point(°C)	294-295° C (lit.)
Molecular Weight	231.330 g/mol
XLogP3	6.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	231.162 Da
Monoisotopic Mass	231.162 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	225.000
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

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS08, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H301:Toxic if swallowed H311:Toxic in contact with skin H331:Toxic if inhaled H334:May cause allergy or asthma symptoms or breathing difficulties if inhaled H301+H311+H331:Toxic if swallowed, in contact with skin or if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P284:[In case of inadequate ventilation] Wear respiratory protection. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell. P342+P316:If experiencing respiratory symptoms: Get emergence medical help immediately.

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4-Octylphenyl isocyanate - 98%, high purity , CAS No.69342-46-7

Basic Description

AI Insight

Names and Identifiers

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

Chemical and Physical Properties

Safety and Hazards(GHS)

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