3-Chloro-4-hydroxybenzoic acid hemihydrate - CAS 3964-58-7
Catalog: |
BB024073 |
Product Name: |
3-Chloro-4-hydroxybenzoic acid hemihydrate |
CAS: |
3964-58-7 |
Synonyms: |
3-chloro-4-hydroxybenzoic acid |
IUPAC Name: | 3-chloro-4-hydroxybenzoic acid |
Description: | 3-Chloro-4-hydroxybenzoic acid hemihydrate (CAS# 3964-58-7) is a useful research chemical. |
Molecular Weight: | 181.57 |
Molecular Formula: | C7H5ClO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Cl)O |
InChI: | InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
InChI Key: | QGNLHMKIGMZKJX-UHFFFAOYSA-N |
Boiling Point: | 330.5 °C at 760 mmHg |
Density: | 1.536 g/cm3 |
Appearance: | Very slightly beige fluffy powder |
MDL: | MFCD00002549 |
LogP: | 1.74380 |
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 |
CN-111995568-A | Preparation method of poly-substituted fluorine-containing hexa-heterocyclic methylamine with protection groups | 20200915 |
CN-112138427-A | Preparation method of polysubstituted fluorine-containing bromophenol benzoic acid | 20200915 |
CN-110357773-A | The synthesis of 3- chloro-4-hydroxyl benzoic acid | 20190708 |
KR-20200123687-A | Battery case, and battery | 20190422 |
US-2020335732-A1 | Battery case and battery | 20190422 |
PMID | Publication Date | Title | Journal |
22316246 | 20120208 | Genome sequence of Desulfitobacterium hafniense DCB-2, a Gram-positive anaerobe capable of dehalogenation and metal reduction | BMC microbiology |
19177194 | 20090101 | Preparation and Characterization of a Polyclonal Antibody against Brominated Protein | Journal of clinical biochemistry and nutrition |
12381026 | 20020801 | Occurrence of several genes encoding putative reductive dehalogenases in Desulfitobacterium hafniense/frappieri and Dehalococcoides ethenogenes | Canadian journal of microbiology |
11533062 | 20011102 | Characterization of the B12- and iron-sulfur-containing reductive dehalogenase from Desulfitobacterium chlororespirans | The Journal of biological chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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