3-(Trifluoromethyl)benzyl alcohol - CAS 349-75-7
Catalog: |
BB022383 |
Product Name: |
3-(Trifluoromethyl)benzyl alcohol |
CAS: |
349-75-7 |
Synonyms: |
Benzenemethanol, 3-(trifluoromethyl)-; 3-(Trifluoromethyl)benzenemethanol; Benzyl alcohol, m-(trifluoromethyl)-; 3-Hydroxymethylbenzyltrifluoride; 3-Trifluorobenzyl alcohol; 3-Trifluoromethylbenzyl alcohol; m-(Trifluoromethyl)benzyl alcohol |
Related CAS: | 185532-92-7 (Deleted CAS)
|
IUPAC Name: | [3-(trifluoromethyl)phenyl]methanol |
Molecular Weight: | 176.14 |
Molecular Formula: | C8H7F3O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CO |
InChI: | InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2 |
InChI Key: | BXEHKCUWIODEDE-UHFFFAOYSA-N |
Boiling Point: | 68°C |
Purity: | 95% |
Density: | 1.2850 g/cm3 |
Appearance: | Colorless to Red to Green Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00004645 |
LogP: | 2.19770 |
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 |
Publication Number | Title | Priority Date |
CN-113214104-A | Method for synthesizing aromatic acetamide | 20210416 |
CN-113087684-A | Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate | 20210323 |
CN-113201020-A | Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate | 20210323 |
CN-112574081-A | Process for preparing arylthioamide compounds | 20201212 |
CN-112194637-A | Aromatic methylamine substituted nitrogen heterocyclic compound and preparation method and application thereof | 20200915 |
PMID | Publication Date | Title | Journal |
22611397 | 20120101 | Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte | International journal of analytical chemistry |
19854660 | 20100101 | New reagents for increasing ESI multiple charging of proteins and protein complexes | Journal of the American Society for Mass Spectrometry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.04489933 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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