5-Bromo-2-chloroanisole - CAS 16817-43-9
Catalog: |
BB012455 |
Product Name: |
5-Bromo-2-chloroanisole |
CAS: |
16817-43-9 |
Synonyms: |
4-bromo-1-chloro-2-methoxybenzene |
IUPAC Name: | 4-bromo-1-chloro-2-methoxybenzene |
Description: | 5-Bromo-2-chloroanisole (CAS# 16817-43-9) is a useful research chemical. |
Molecular Weight: | 221.48 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | COC1=C(C=CC(=C1)Br)Cl |
InChI: | InChI=1S/C7H6BrClO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3 |
InChI Key: | UAMVKOTWSHJOSY-UHFFFAOYSA-N |
Boiling Point: | 240-245 °C748 mmHg (lit.) |
Melting Point: | 27-28 °C |
Purity: | 98 % |
Density: | 1.631 g/mL at 25 °C (lit.) |
MDL: | MFCD00078659 |
LogP: | 3.11110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119236-A1 | Preparation of a chk1 inhibitor compound | 20191210 |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2020239656-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of hepatitis b | 20190529 |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
EP-3889156-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
PMID | Publication Date | Title | Journal |
22185578 | 20111220 | New hydroxylated metabolites of 4-monochlorobiphenyl in whole poplar plants | Chemistry Central journal |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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