4-Cyanophenyl isocyanate - CAS 40465-45-0
Catalog: |
BB024511 |
Product Name: |
4-Cyanophenyl isocyanate |
CAS: |
40465-45-0 |
Synonyms: |
4-isocyanatobenzonitrile |
IUPAC Name: | 4-isocyanatobenzonitrile |
Description: | 4-Cyanophenyl isocyanate (CAS# 40465-45-0) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C8H4N2O |
Canonical SMILES: | C1=CC(=CC=C1C#N)N=C=O |
InChI: | InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H |
InChI Key: | TVSXDZNUTPLDKY-UHFFFAOYSA-N |
Boiling Point: | 260.1 °C at 760 mmHg |
Density: | 1.09 g/cm3 |
Appearance: | Off-white to beige crystalline needles or solid |
MDL: | MFCD00037038 |
LogP: | 1.52558 |
GHS Hazard Statement: | H302 (97.62%): 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-112349449-A | Transparent conductive coating and preparation method and application thereof | 20201030 |
KR-20200067791-A | Powder coating composition | 20200602 |
KR-102244453-B1 | Powder coating composition | 20200602 |
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PMID | Publication Date | Title | Journal |
15244456 | 20040701 | Chemical modification of silk sericin in lithium chloride/dimethyl sulfoxide solvent with 4-cyanophenyl isocyanate | Biomacromolecules |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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