2-Bromo-3'-chloropropiophenone - CAS 34911-51-8
Catalog: |
BB022357 |
Product Name: |
2-Bromo-3'-chloropropiophenone |
CAS: |
34911-51-8 |
Synonyms: |
2-bromo-1-(3-chlorophenyl)-1-propanone; 2-bromo-1-(3-chlorophenyl)propan-1-one |
IUPAC Name: | 2-bromo-1-(3-chlorophenyl)propan-1-one |
Description: | 2-Bromo-3'-chloropropiophenone (CAS# 34911-51-8) is a compound useful in organic synthesis. |
Molecular Weight: | 247.52 |
Molecular Formula: | C9H8BrClO |
Canonical SMILES: | CC(C(=O)C1=CC(=CC=C1)Cl)Br |
InChI: | InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3 |
InChI Key: | OFNMQTRHMBQQEA-UHFFFAOYSA-N |
Boiling Point: | 295 ℃ at 760 mmHg |
Density: | 1.518 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03701150 |
LogP: | 3.30610 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
CN-108558686-B | Preparation method of bupropion hydrochloride | 20180412 |
WO-2017214505-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20160610 |
US-2017050980-A1 | Oxadiazine compounds and methods of use thereof | 20150818 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.94471 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.94471 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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