3-Methoxy-4-Nitrophenol - CAS 16292-95-8
Catalog: |
BB076884 |
Product Name: |
3-Methoxy-4-Nitrophenol |
CAS: |
16292-95-8 |
Synonyms: |
Phenol, 3-methoxy-4-nitro-; 4-Nitro-3-methoxyphenol |
IUPAC Name: | 3-methoxy-4-nitrophenol |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | COC1=C(C=CC(=C1)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7NO4/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,9H,1H3 |
InChI Key: | VDQSACYMBGQMFC-UHFFFAOYSA-N |
Boiling Point: | 356.2±27.0°C (Predicted) |
Melting Point: | 144°C |
Purity: | 95% |
Density: | 1.367±0.06 g/cm3 (Predicted) |
Appearance: | Yellow to Brown or Gray Solid |
Storage: | Store at RT |
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]; 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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0375077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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