Bromo-OTBN

CAS Number: 114772-54-2

Molecular Formula: C14H10BrN

Purity: 99.26%

About Bromo-OTBN

We supply commercial and electronic-grade Bromo-OTBN (CAS No: 114772-54-2) to promote manufacturing efficiency across the domestic pharmaceutical active, custom fine chemical, and advanced contract organic synthesis sectors in the United States. Known as 4-bromomethyl-2-cyanobiphenyl, this sterically structured organic...

Variants

4-BromomethyI-2-cyanobipheny

CAS: 114772-54-2

Synonyms

4-Bromomethyl-2-cyanobiphenyl
ACMC-20aiwq
Sartan Bromo biphenyl
C14H10BrN
AC1LT3QU

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Bromo-OTBN Specifications

CAS Number

114772-54-2

Molecular Formula

C14H10BrN

Molecular Weight

272.14 g/mol

IUPAC Name

2-[4-(bromomethyl)phenyl]benzonitrile

Canonical SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr

InChI Key

LFFIEVAMVPCZNA-UHFFFAOYSA-N

InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

UNII Code

UI5JR3K10F

DSSTox Substance ID

DTXSID30363559

EINECS Number

425-280-5

MDL Number

MFCD00671503

CAS Number

114772-54-2

Molecular Formula

C14H10BrN

Molecular Weight

272.14 g/mol

IUPAC Name

2-[4-(bromomethyl)phenyl]benzonitrile

Canonical SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr

InChI Key

LFFIEVAMVPCZNA-UHFFFAOYSA-N

InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

UNII Code

UI5JR3K10F

DSSTox Substance ID

DTXSID30363559

EINECS Number

425-280-5

MDL Number

MFCD00671503

Molecular Weight

272.14 g/mol

XLogP3

3.8

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Monoisotopic Mass

270.99966 Da

BROMO OTBN Purity

99.26%

GHS Hazard Statements

H317 (97.6%): May cause an allergic skin reaction H400 (90.5%): Very toxic to aquatic life H410 (92.9%): Very toxic to aquatic life with long lasting effects

Hazard Classes and Categories

Acute Tox. 4 (20%) Skin Irrit. 2 (20%) Skin Sens. 1 (80%) Eye Irrit. 2 (20%) Muta. 2 (20%) Aquatic Acute 1 (20%) Aquatic Chronic 1 (40%) Aquatic Chronic 2 (40%)

Sartan Series Active Core Block

A foundational heterocyclic building block utilised for the introduction of the substituted biphenylmethyl framework into blockbuster architectures like Losartan, Valsartan, and Candesartan

Nucleophilic Substitution Engine

An advanced chemical precursor engineered for seamless condensation with substituted imidazoles, benzimidazoles, or amino acid chains via base-promoted alkylation

Angiotensin II Receptor Antagonist R&D

A highly stable structural synthon applied in medicinal chemistry laboratories for the design of novel non-peptide antihypertensive agents

Nitrile-to-Tetrazole Downstream Cascades

A high-purity block optimised for safe continuous azide-addition processes to smoothly convert the 2-cyano group into a tetrazole ring structure

Anhydrous Organic Synthesis Matrix

A moisture-controlled crystalline compound optimized for processing runs within non-polar or aprotic organic media like dichloromethane or acetonitrile

COA

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