4-Chlorodiphenylmethane - CAS 831-81-2
Catalog: |
BB036982 |
Product Name: |
4-Chlorodiphenylmethane |
CAS: |
831-81-2 |
Synonyms: |
1-chloro-4-(phenylmethyl)benzene; 1-benzyl-4-chlorobenzene |
IUPAC Name: | 1-benzyl-4-chlorobenzene |
Description: | 4-Chlorodiphenylmethane (CAS# 831-81-2) is a building block in the synthesis of variuos pharmaceutical compounds. It can also be used in Zinc-catalyzed benzylic C-H bond oxidation, to produce carbonyl containing compounds with good yields. |
Molecular Weight: | 202.68 |
Molecular Formula: | C13H11Cl |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2 |
InChI Key: | NPOGRKGIBGKRNI-UHFFFAOYSA-N |
Boiling Point: | 147-148 °C / 8 mmHg |
Melting Point: | 7.5 °C |
Density: | 1.11 g/cm3 |
Solubility: | Insol in water, Sol in acetone |
Appearance: | Colorless to pale-yellow liquid |
MDL: | MFCD00094070 |
LogP: | 3.93080 |
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-111793043-A | Production process of clocycline hydrochloride | 20200721 |
CN-111606791-A | Synthetic method of aromatic benzyl ketone | 20200608 |
CN-110528037-A | A method of it improving water and plates copper ornament quality | 20191009 |
CN-109487257-A | A kind of OSP copper face antioxidant and preparation method thereof | 20181113 |
EP-3791877-A1 | Prophylactic or therapeutic agent for prostate cancer | 20180510 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0549280 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0549280 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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