4-Bromo-3-chlorobenzyl Alcohol - CAS 120077-68-1
Catalog: |
BB004707 |
Product Name: |
4-Bromo-3-chlorobenzyl Alcohol |
CAS: |
120077-68-1 |
Synonyms: |
(4-bromo-3-chlorophenyl)methanol; (4-bromo-3-chlorophenyl)methanol |
IUPAC Name: | (4-bromo-3-chlorophenyl)methanol |
Description: | 4-Bromo-3-chlorobenzyl Alcohol (CAS# 120077-68-1) is a useful research chemical. |
Molecular Weight: | 221.48 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | C1=CC(=C(C=C1CO)Cl)Br |
InChI: | InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2 |
InChI Key: | QXKNNVRGECWRKK-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.00000 |
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 |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
AU-2016357927-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
CA-3005674-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
EP-3377473-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
JP-2019502659-A | Macrocyclic wide-area antibiotics | 20151120 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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