CAS 18880-00-7 | Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)- | CAS Number 18880-00-7

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18880-00-7 | Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-

CAS No: 18880-00-7 Catalog No: AG002HC2 MDL No:MFCD00000180

Product Description

Catalog Number:

AG002HC2

Chemical Name:

Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-

CAS Number:

18880-00-7

Molecular Formula:

C11H15Br

Molecular Weight:

227.1408

MDL Number:

MFCD00000180

IUPAC Name:

1-(bromomethyl)-4-tert-butylbenzene

InChI:

InChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChI Key:

QZNQSIHCDAGZIA-UHFFFAOYSA-N

SMILES:

BrCc1ccc(cc1)C(C)(C)C

EC Number:

242-643-1

NSC Number:

186287

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.145g/mol

Monoisotopic Mass:

226.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Use of different types of mesoporous materials as tools for organic synthesis.	Journal of colloid and interface science 20070615
Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism.	Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Use of a mesoporous material for organic synthesis.	Langmuir : the ACS journal of surfaces and colloids 20050426
Phase-transfer agents as catalysts for a nucleophilic substitution reaction in microemulsions.	Chemistry (Weinheim an der Bergstrasse, Germany) 20041025
A nucleophilic substitution reaction performed in different types of self-assembly structures.	Langmuir : the ACS journal of surfaces and colloids 20040720