3-Bromo-4-chlorobenzoic acid - CAS 42860-10-6
Catalog: |
BB025255 |
Product Name: |
3-Bromo-4-chlorobenzoic acid |
CAS: |
42860-10-6 |
Synonyms: |
3-bromo-4-chlorobenzoic acid |
IUPAC Name: | 3-bromo-4-chlorobenzoic acid |
Description: | 3-Bromo-4-chlorobenzoic acid (CAS# 42860-10-6) is a useful research chemical. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Br)Cl |
InChI: | InChI=1S/C7H4BrClO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | NLEPZGNUPNMRGF-UHFFFAOYSA-N |
Melting Point: | 218-222 °C |
Purity: | 95 % |
MDL: | MFCD00079706 |
LogP: | 2.80070 |
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-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
WO-2020198053-A1 | 2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases | 20190322 |
TW-202102498-A | Pyridine-fused imidazole and pyrrole derivatives as ripk2 inhibitors | 20190322 |
CN-110684021-A | Benzoxazole derivative having heteroaryl group and organic electroluminescent device comprising the same | 20180705 |
KR-20200005072-A | Benzazole derivative having heteroaryl group and organic light emitting diode device including the same | 20180705 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.90832 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.90832 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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