α-Bromo-2-chlorophenylacetic acid - CAS 29270-30-2
Catalog: |
BB020159 |
Product Name: |
α-Bromo-2-chlorophenylacetic acid |
CAS: |
29270-30-2 |
Synonyms: |
Acetic acid, bromo(o-chlorophenyl)-; α-Bromo-2-chlorobenzeneacetic acid; (2-Chlorophenyl)bromoacetic acid; 2-Bromo-2-(2'-chlorophenyl) acetic acid; α-Bromo-(2-chlorophenyl)acetic acid; α-Bromo-α-(2-chlorophenyl)acetic acid |
Related CAS: | 141109-25-3 (Deleted CAS)
|
IUPAC Name: | 2-bromo-2-(2-chlorophenyl)acetic acid |
Molecular Weight: | 249.49 |
Molecular Formula: | C8H6BrClO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(C(=O)O)Br)Cl |
InChI: | InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12) |
InChI Key: | XHAPROULWZYBGA-UHFFFAOYSA-N |
Boiling Point: | 316.7±27.0°C at 760 mmHg |
Melting Point: | 105-108°C |
Purity: | 95% |
Density: | 1.747±0.06 g/cm3 |
MDL: | MFCD03428513 |
LogP: | 2.86060 |
GHS Hazard Statement: | H315 (97.44%): 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-111606923-A | Synthesis method of racemic clopidogrel | 20200624 |
CN-111606923-B | Synthesis method of racemic clopidogrel | 20200624 |
CN-111499511-A | Preparation of clopidogrel intermediate α -bromo (2-chloro) methyl phenylacetate by circularly using aqueous solution method | 20200420 |
WO-2021079380-A1 | Improved process for the preparation of (2s)-n-{(1s)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)-amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-n-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide | 20191023 |
CN-108201934-B | Stone grinding device for engineering and working method thereof | 20171225 |
PMID | Publication Date | Title | Journal |
16294251 | 20051207 | Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution | Organic & biomolecular chemistry |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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