2-[4-(Bromomethyl)phenyl]propionic acid - CAS 111128-12-2
Catalog: |
BB002716 |
Product Name: |
2-[4-(Bromomethyl)phenyl]propionic acid |
CAS: |
111128-12-2 |
Synonyms: |
2-[4-(bromomethyl)phenyl]propanoic acid |
IUPAC Name: | 2-[4-(bromomethyl)phenyl]propanoic acid |
Description: | 2-[4-(Bromomethyl)phenyl]propionic acid (CAS# 111128-12-2) is a key intermediate for the synthesis of loxoprofen sodium a nonsteroidal anti-inflammatory drug. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CC(C1=CC=C(C=C1)CBr)C(=O)O |
InChI: | InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13) |
InChI Key: | QQXBRVQJMKBAOZ-UHFFFAOYSA-N |
Boiling Point: | 344.2 °C at 760 mmHg |
Melting Point: | 123-128 °C |
Purity: | 95 % |
Density: | 1.485 g/cm3 |
Appearance: | Beige-cream crystalline powder |
MDL: | MFCD02093445 |
LogP: | 2.76960 |
GHS Hazard Statement: | H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113149826-A | Preparation process of pelubiprofen | 20210408 |
CN-112473593-A | Automatic production line of 2-4 bromomethyl phenyl propionic acid | 20201102 |
CN-111454145-A | Preparation method of p-bromomethyl isophenylpropionic acid | 20200513 |
CN-110790662-A | Production method of 2- (4-bromomethylphenyl) propionic acid | 20191119 |
CN-110872299-A | P-benzoquinone-bis-triazole core skeleton derivative and preparation method and application thereof | 20191119 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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