Pentamethylene Diisocyanate - CAS 4538-42-5

Catalog:	BB058159
Product Name:	Pentamethylene Diisocyanate
CAS:	4538-42-5
Synonyms:	1,5-Diisocyanatopentane; 1,5-Pentamethylene Diisocyanate;1,5-Pentane Diisocyanate;1,5-Pentanediol Diisocyanate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,5-diisocyanatopentane
Description:	Pentamethylene Diisocyanate is a based off of isocyanate which is an adhesive with excellent adhesiveness, water resistance, and heat resistance
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	C(CCN=C=O)CCN=C=O
InChI:	InChI=1S/C7H10N2O2/c10-6-8-4-2-1-3-5-9-7-11/h1-5H2
InChI Key:	DFPJRUKWEPYFJT-UHFFFAOYSA-N
References:	Abe, Manami. et al., Jpn. Tokkyo Koho. 24 pp. (2020).

Publication Number	Title	Priority Date
JP-2022033203-A	Surface protection film	20211221
CN-114149345-A	Method for preparing isocyanate	20211209
JP-2022022402-A	Adhesive film	20211209
CN-113999140-A	Method for continuously preparing pentamethylene diisocyanate	20211206
CN-114044745-A	Method for synthesizing 1, 5-pentamethylene diisocyanate by gas phase phosgenation method	20211206
CN-114133343-A	Method for purifying isocyanate under high vacuum	20211206
CN-114181353-A	Synthesis and application of modified waterborne polyurethane composition	20211202
CN-114163609-A	Polyisocyanate composition, preparation method thereof and coating composition	20211129
CN-114032017-A	Modified branched fluorinated polyurethane-based polyurethane wire enamel composition with high breakdown voltage and long service life and preparation method thereof	20211121
CN-114031745-A	Preparation method of colorless polyisocyanate composition	20211116

PMID	Publication Date	Title	Journal
12522810	20030201	Vascularization and tissue infiltration of a biodegradable polyurethane matrix	Journal of biomedical materials research. Part A

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GHS Hazard Statement:	H302 (90.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P313, P342+P316, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8