4-Methoxy-2-trifluoromethylbenzaldehyde - CAS 106312-36-1
Catalog: |
BB054085 |
Product Name: |
4-Methoxy-2-trifluoromethylbenzaldehyde |
CAS: |
106312-36-1 |
Synonyms: |
4-Formyl-3-(trifluoromethyl)anisole; Benzaldehyde, 4-methoxy-2-(trifluoromethyl)- |
IUPAC Name: | 4-methoxy-2-(trifluoromethyl)benzaldehyde |
Molecular Weight: | 204.15 |
Molecular Formula: | C9H7O2F3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C=O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O2/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3 |
InChI Key: | BVPVUMRIGHMFNV-UHFFFAOYSA-N |
Boiling Point: | 256.2ºC at 760mmHg |
Melting Point: | 39-41ºC |
Purity: | 98% |
Density: | 1.287g/cm3 |
Appearance: | Light yellow powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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