The 4-Methyl benzophenone, with its CAS registry number 134-84-9, has the IUPAC name of (4-methylphenyl)-phenylmethanone. For being a kind of white to beige crystalline powder or crystals, its product categories are including Aromatic Benzophenones & Derivatives (substituted); Benzophenone; Organic Photoinitiators; Polymerization Initiators. As to its usage, it can be used as UV absorber and pharmaceutical intermediates.
The physical properties of this chemical are as below: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 343.92; (6)ACD/BCF (pH 7.4): 343.92; (7)ACD/KOC (pH 5.5): 2276.15; (8)ACD/KOC (pH 7.4): 2276.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 183.8 cm3; (16)Polarizability: 24.13×10-24 cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 57.05 kJ/mol; (21)Boiling Point: 328.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000194 mmHg at 25°C; (23)Exact Mass: 196.088815; (24)MonoIsotopic Mass: 196.088815; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 15; (27)Complexity: 207.
Use of this chemical: 4-Methyl benzophenone could react to produce 1-benzyl-4-methyl-benzene. This reaction could happen in the presence of the reagent?of?zinc dust.
Production method of this chemical: phenyl-p-tolyl-methanethione could react to produce 4-Methyl benzophenone. This reaction could happen in the presence of the reagent of clayfen, and?it needs the?reaction time of 90 s in the condition of microwave irradiation.
When you are dealing with this chemical, you should be very careful. For being a kind of irritant which may cause inflammation to the skin or other mucous membranes, it is irritating to eyes, respiratory system and skin and it will be dangerous to our body if swallowed. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
(3)InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N?
Below are the toxicity information of this chemical:
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
mouse |
LD50 |
intraperitoneal |
250mg/kg (250mg/kg) |
|
National Technical Information Service. Vol. AD277-689, |