3,5-Dimethoxyphenyl isocyanate - CAS 54132-76-2
Catalog: |
BB028515 |
Product Name: |
3,5-Dimethoxyphenyl isocyanate |
CAS: |
54132-76-2 |
Synonyms: |
1-isocyanato-3,5-dimethoxybenzene |
IUPAC Name: | 1-isocyanato-3,5-dimethoxybenzene |
Description: | 3,5-Dimethoxyphenyl isocyanate (CAS# 54132-76-2) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | COC1=CC(=CC(=C1)N=C=O)OC |
InChI: | InChI=1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3 |
InChI Key: | LEKQOUWMYSIQII-UHFFFAOYSA-N |
Boiling Point: | 279.5 ℃ at 760 mmHg |
Density: | 1.1 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00013862 |
LogP: | 1.67110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113354778-A | Solid polycarboxylic acid water reducing agent and preparation method thereof | 20210726 |
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WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
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CN-109384764-B | Phenyl thiophene sulfonamide compound, pharmaceutical composition, preparation method and application thereof | 20181212 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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