1,4-Phenylene diisocyanide - CAS 935-16-0

Name: 1,4-Phenylene diisocyanide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040950
Product Name:	1,4-Phenylene diisocyanide
CAS:	935-16-0
Synonyms:	1,4-diisocyanobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,4-diisocyanobenzene
Description:	1,4-Phenylene diisocyanide (CAS# 935-16-0 ) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C8H4N2
Canonical SMILES:	[C-]#[N+]C1=CC=C(C=C1)[N+]#[C-]
InChI:	InChI=1S/C8H4N2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H
InChI Key:	IXACFSRTSHAQIX-UHFFFAOYSA-N
MDL:	MFCD00012383
LogP:	1.24960

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113265051-A	Method for preparing polymer with controllable sulfur and/or selenium sequence by one-pot method and product thereof	20210531
CN-112375217-A	Self-repairing material and preparation method thereof	20201009
WO-2021130509-A1	Ican derivatives for antifungal use	20191223
TW-201932449-A	Multi-component thiol composition for plastic optical lenses	20180119
TW-I675821-B	Multi-component thiol composition for plastic optical lenses	20180119

PMID	Publication Date	Title	Journal
21999490	20111107	Self-assembly and redox modulation of the cavity size of an unusual rectangular iron thiolate aryldiisocyanide metallocyclophane	Inorganic chemistry
21840532	20111101	Preferential adsorption of fetal bovine serum on bare and aromatic thiol-functionalized gold surfaces in cell culture media	Journal of colloid and interface science
21828913	20110101	Surface-enhanced Raman scattering: a powerful tool for chemical identification	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
20714484	20101007	One-dimensional supramolecular surface structures: 1,4-diisocyanobenzene on Au(111) surfaces	Physical chemistry chemical physics : PCCP
20804143	20100901	Self-assembly of organic monolayers as protective and conductive bridges for nanometric surface-mount applications	ACS applied materials & interfaces

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.037448136
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.037448136
Rotatable Bond Count:	0
Topological Polar Surface Area:	8.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9