3-Chloro-4-fluorobenzyl Alcohol - CAS 161446-90-8
Catalog: |
BB011745 |
Product Name: |
3-Chloro-4-fluorobenzyl Alcohol |
CAS: |
161446-90-8 |
Synonyms: |
(3-chloro-4-fluorophenyl)methanol; (3-chloro-4-fluorophenyl)methanol |
IUPAC Name: | (3-chloro-4-fluorophenyl)methanol |
Description: | 3-Chloro-4-fluorobenzyl Alcohol (CAS# 161446-90-8) is a useful research chemical. |
Molecular Weight: | 160.57 |
Molecular Formula: | C7H6ClFO |
Canonical SMILES: | C1=CC(=C(C=C1CO)Cl)F |
InChI: | InChI=1S/C7H6ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2 |
InChI Key: | KRQHBUXUXOPOON-UHFFFAOYSA-N |
Boiling Point: | 242.5 ℃ at 760 mmHg |
Density: | 1.344 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD01631550 |
LogP: | 1.97140 |
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 (66.67%): 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 |
WO-2021069927-A1 | Prostaglandin ep4 receptor antagonist compounds | 20191009 |
AU-2017263785-A1 | Oxaborole esters and uses thereof | 20160512 |
AU-2017263785-B2 | Oxaborole esters and uses thereof | 20160512 |
AU-2018264116-A1 | Novel compounds for treating parasitic disease | 20160512 |
AU-2018264116-B2 | Novel compounds for treating parasitic disease | 20160512 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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