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316-49-4

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316-49-4 Usage

Uses

4-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.

Check Digit Verification of cas no

The CAS Registry Mumber 316-49-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,1 and 6 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 316-49:
(5*3)+(4*1)+(3*6)+(2*4)+(1*9)=54
54 % 10 = 4
So 316-49-4 is a valid CAS Registry Number.
InChI:InChI=1/C19H14/c1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18/h2-12H,1H3

316-49-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methylbenzo[a]anthracene

1.2 Other means of identification

Product number -
Other names 4-Methyl-1,2-benzanthracene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:316-49-4 SDS

316-49-4Downstream Products

316-49-4Relevant articles and documents

Solvolysis of K-region arene oxides: Substituent effects on reactions of benz[a]anthracene 5,6-oxide

Nashed, Nashaat T.,Balani, Suresh K.,Loncharich, Richard J.,Sayer, Jane M.,Shipley, David Y.,Mohan, Ram S.,Whalen, Dale L.,Jerina, Donald M.

, p. 3910 - 3919 (2007/10/02)

The solvolytic reactivity and products formed from benz[a]anthracene 5,6-oxide (BA-O) on substitution of a methyl group at positions 1 (1-MBA-O), 4 (4-MBA-O), 7 (7-MBA-O), 11 (11-MBA-O), and 12 (12-MBA-O), on 7,12-dimethyl substitution (7,12-DMBA-O), and on 7-bromo substitution in 1:9 dioxane-water and in methanol at 25°C are reported. These substitutions result in > 150-fold differences in their rates of acid-catalyzed solvolysis and cause marked changes in the distribution of solvent adducts and phenols resulting from isomerization. Optically pure BA-O, 7-MBA-O, 12-MBA-O, and 7,12-DMBA-O as well as their optically pure trans dihydrodiols were utilized to determine the point of attack by water in the hydrolysis reactions. In general, the reactions in aqueous dioxane (0.1 M NaClO4) obeyed the rate equation kobsd = kH[H+] + k0, where kH is the second-order rate constant for acid-catalyzed reaction and k0 is the first-order rate constant for spontaneous reaction, to provide biphasic pH-rate profiles. When ionic strength was maintained with 0.5 M KCl, however, more complex pH-rate profiles were observed for some of the arene oxides due to attack of chloride on the neutral epoxide to produce steady-state concentrations of chlorohydrins. Rate enhancement on methyl substitution is largest (kH, ca. 5-fold) when the methyl group is present in the hindered bay region (C1 or C12) or adjacent to the epoxide at C7. The combined effect of two methyl groups (7,12-DMBA-O) is additive (ca. 25-fold). Theoretical calculations (molecular mechanics by PCMODEL-PI and ab initio by GAUSSIAN 86 and 88 programs) of carbocation stability indicate the importance of steric factors in determining relative reactivity and types of products formed from substituted benz[a]anthracene 5,6-oxides.

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