Cis Bromo Benzoate (CBB)

CAS Number: 61397-56-6

Molecular Formula: C18H15BrCl2O4

Purity: 98.16%

About Cis Bromo Benzoate (CBB)

Cis Bromo Benzoate is a triazole derivative primarily used as an intermediate in pharmaceutical synthesis. It plays a key role in the production of triazole-based antifungal agents, such as Itraconazole and Ketoconazole, which are widely used to treat fungal infections. The bromomethyl group and the 2,4-dichlorophenyl ...

Cis Bromo Benzoate (CBB) Specifications

CAS Number

61397-56-6

Molecular Formula

C18H15BrCl2O4

IUPAC Name

Cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate

Canonical SMILES

C1=C(C(=C(C=C1)Cl)Cl)C(CO2)C(=O)O2

InChI Key

OXUPOIXSQGXRGF-KSSFIOAISA-N

InChI

1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1

PubChem CID

1390983

MDL Number

MFCD07370171

UNSPSC Code

12181500

eClass

32039000

HSN No

2933.99.90

CAS Number

61397-56-6

Molecular Formula

C18H15BrCl2O4

IUPAC Name

Cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate

Canonical SMILES

C1=C(C(=C(C=C1)Cl)Cl)C(CO2)C(=O)O2

InChI Key

OXUPOIXSQGXRGF-KSSFIOAISA-N

InChI

1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1

PubChem CID

1390983

MDL Number

MFCD07370171

UNSPSC Code

12181500

eClass

32039000

HSN No

2933.99.90

Appearance

White-off to white colored powder

Identification by HPLC

Chromatogram test complied

Melting Range

116-117°C

Loss on drying

0.10%

Purity by HPLC

98.16%

Hazard Statements

H302: Harmful if swallowed. H315: Causes skin irritation. H319: Causes serious eye irritation.

Precautionary Statements

P264: Wash hands thoroughly after handling. P270: Do not eat, drink, or smoke when using this product. P280: Wear protective gloves/eye protection/face protection. P301+P312: IF SWALLOWED: Call a POISON CENTER or doctor if you feel unwell. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Pharmaceutical Manufacturing

Intermediate in the synthesis of triazole antifungal drugs, especially Itraconazole and Ketoconazole. To treat a variety of fungal infections, such as aspergillosis, onychomycosis, and candidiasis

Chemical Synthesis

Synthesis of other bioactive molecules and can serve as a precursor in the development of new pharmaceutical intermediates for treating infections caused by fungi, bacteria, or viruses

Agricultural Applications

Although primarily used in pharmaceuticals, it can also have cross-industry applications for the development of fungicides in the agricultural sector, contributing to crop protection against fungal diseases.

High Purity and Efficacy- Availability

High-purity grades, ensuring consistent results in the synthesis of active pharmaceutical ingredients (APls) used in antifungal treatments

Critical Role in Triazole Synthesis

Bromomethyl group and dioxolane ring in its structure allow it to serve as a critical intermediate in the triazole synthesis process, providing the desired biological activity in pharmaceutical formulations.

COA

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MSDS

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