3,5-Dichlorobenzoic acid - CAS 51-36-5
Catalog: |
BB027419 |
Product Name: |
3,5-Dichlorobenzoic acid |
CAS: |
51-36-5 |
Synonyms: |
3,5-dichlorobenzoic acid |
IUPAC Name: | 3,5-dichlorobenzoic acid |
Description: | 3,5-Dichlorobenzoic acid (CAS# 51-36-5) is a useful research chemical. |
Molecular Weight: | 191.01 |
Molecular Formula: | C7H4Cl2O2 |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)C(=O)O |
InChI: | InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
InChI Key: | CXKCZFDUOYMOOP-UHFFFAOYSA-N |
Boiling Point: | 309.1 °C at 760 mmHg |
Melting Point: | 184-190 °C |
Purity: | 95 % |
Density: | 1.517 g/cm3 |
Appearance: | Slightly gray powder. |
Storage: | 2-8 °C |
MDL: | MFCD00002494 |
LogP: | 2.69160 |
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-113429284-A | Synthetic method of 3, 5-dichlorobenzoyl chloride | 20210601 |
CN-113372290-A | Synthetic method of drug Tafamidis | 20210521 |
CN-112341313-A | Preparation method of 3, 5-dichlorobenzyl alcohol and carboxyamidotriazole intermediate | 20210111 |
CN-112341313-B | Preparation method of 3, 5-dichlorobenzyl alcohol and carboxyamidotriazole intermediate | 20210111 |
CN-112321506-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 20201126 |
PMID | Publication Date | Title | Journal |
21718973 | 20110927 | Novel teichulosonic acid from cell walls of some representatives of the genus Kribbella | Carbohydrate research |
22205873 | 20100101 | Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls | Sensors (Basel, Switzerland) |
19423632 | 20090801 | 3-Chlorobenzoate is taken up by a chromosomally encoded transport system in Cupriavidus necator JMP134 | Microbiology (Reading, England) |
18094321 | 20080301 | Arginine 246 of the pretransmembrane domain 1 region alters 2,2,2-trichloroethanol action in the 5-hydroxytryptamine3A receptor | The Journal of pharmacology and experimental therapeutics |
17214997 | 20070302 | Establishing the feasibility of coupled solid-phase extraction-solid-phase derivatization for acidic herbicides | Journal of chromatography. A |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9588348 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9588348 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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