5-Chloro-2-(methylamino)benzophenone - CAS 1022-13-5
Catalog: |
BB000812 |
Product Name: |
5-Chloro-2-(methylamino)benzophenone |
CAS: |
1022-13-5 |
Synonyms: |
(5-Chloro-2-(methylamino)phenyl)(phenyl)methanone; 2-Methylamino-5-chlorobenzophenone; Ro 5-4365; USP Temazepam Impurity A; Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-; Temazepam EP Impurity A; Diazepam EP Impurity D; Diazepam Related Compound A |
IUPAC Name: | [5-chloro-2-(methylamino)phenyl]-phenylmethanone |
Description: | 5-Chloro-2-(methylamino)benzophenone is a decompoition product of Diazepam, which is a benzodiazepine used as an anti-anxiety and muscle relaxant, as well as to treat epilepsy. |
Molecular Weight: | 245.70 |
Molecular Formula: | C14H12ClNO |
Canonical SMILES: | CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3 |
InChI Key: | WPNMLCMTDCANOZ-UHFFFAOYSA-N |
Boiling Point: | 421.9±35.0 ℃ (Predicted) |
Melting Point: | 93-95 ℃ |
Purity: | ≥95% |
Density: | 1.234±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly) |
Appearance: | Yellow solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00008284 |
LogP: | 3.68570 |
GHS Hazard Statement: | H315 (97.78%): 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 |
RU-2703309-C1 | Method of producing 2-methylamino-5-chlorobenzophenone | 20190715 |
RU-2687556-C1 | Method of producing 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4-benzodiazepin-2-one | 20181224 |
EP-3652139-A1 | Method for preparing keto-functionalized aromatic (meth)acrylates | 20180523 |
WO-2019224193-A1 | Method for preparing keto-functionalized aromatic (meth)acrylates | 20180523 |
EP-3652139-B1 | Method for preparing keto-functionalized aromatic (meth)acrylates | 20180523 |
PMID | Publication Date | Title | Journal |
21602098 | 20110901 | Growth and characterization of organic material 2-methylamino-5-chlorobenzophenone single crystal by modified vertical Bridgman technique | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21583597 | 20090718 | 2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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