3,3,3-Tris(4-chlorophenyl)propionic acid - CAS 2168-06-1
Catalog: |
BB017074 |
Product Name: |
3,3,3-Tris(4-chlorophenyl)propionic acid |
CAS: |
2168-06-1 |
Synonyms: |
3,3,3-tris(4-chlorophenyl)propanoic acid |
IUPAC Name: | 3,3,3-tris(4-chlorophenyl)propanoic acid |
Description: | 3,3,3-Tris(4-chlorophenyl)propionic acid (CAS# 2168-06-1) is a useful research chemical compound. |
Molecular Weight: | 405.70 |
Molecular Formula: | C21H15Cl3O2 |
Canonical SMILES: | C1=CC(=CC=C1C(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl |
InChI: | InChI=1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26) |
InChI Key: | LHIVWYJOCNGZRI-UHFFFAOYSA-N |
Boiling Point: | 505.8 ℃ at 760 mmHg |
Density: | 1.369 g/cm3 |
MDL: | MFCD00010264 |
LogP: | 6.45590 |
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-104685504-A | Method for selecting photoinitiator systems | 20121002 |
CN-104736349-A | Polycarbonate-based security documents and/or documents of value with a hologram in the card body | 20120823 |
BR-PI0903847-A2 | low crosslink density photopolymer formulations | 20081001 |
BR-PI0903847-B1 | Low crosslink density photopolymer formulations, suitable media for recording visual holograms, their use and their lighting process | 20081001 |
CA-2680974-A1 | Photopolymer formulations hving a low crosslinking density | 20081001 |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 404.013763 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 404.013763 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.7 |
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