2-Methoxy-5-methylphenyl isocyanate - CAS 59741-04-7
Catalog: |
BB030480 |
Product Name: |
2-Methoxy-5-methylphenyl isocyanate |
CAS: |
59741-04-7 |
Synonyms: |
2-isocyanato-1-methoxy-4-methylbenzene |
IUPAC Name: | 2-isocyanato-1-methoxy-4-methylbenzene |
Description: | 2-Methoxy-5-methylphenyl isocyanate (CAS# 59741-04-7) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)OC)N=C=O |
InChI: | InChI=1S/C9H9NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-5H,1-2H3 |
InChI Key: | IDOHLSFNBKNRRJ-UHFFFAOYSA-N |
Boiling Point: | 240 ℃ |
Density: | 1.112 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00013869 |
LogP: | 1.97090 |
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-113262218-A | Application of isothiocyanate compounds | 20200214 |
CN-113181160-A | Application of isothiocyanate compounds | 20200114 |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
TW-202003448-A | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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