42872-74-2

Basic information

• Product Name: 3-Bromo-4-methylbenzonitrile
• Synonyms: 3-BROMO-4-METHYLBENZONITRILE 97;3-Bromo-4-methylbenzonitrile 98%;3-Bromo-4-methylbenzonitrile;4-methyl-3-bromobenzonitrile;2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile;Benzonitrile, 3-bromo-4-methyl-;Bromo-4-methyl-benzonitrile
• CAS NO: 42872-74-2
• Molecular Formula: C₈H₆BrN
• Molecular Weight: 196.04
• Product Categories: Fluorobenzene;Miscellaneous;Bromine Compounds;Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;cyanide| alkyl bromide
• Mol File: 42872-74-2.mol
• Article Data: 13

Chemical Properties

• Melting Point: 41-45 °C(lit.)
• Boiling Point: 259.05 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: UN 3439
• Density: 1.517 g/cm³
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: 1.591
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 3-Bromo-4-methylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-methylbenzonitrile(42872-74-2)
• EPA Substance Registry System: 3-Bromo-4-methylbenzonitrile(42872-74-2)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22
• Safety Statements: 36
• RIDADR: UN3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 42872-74-2(Hazardous Substances Data)

Usage

Chemical Properties

Off-white crystalline

Uses

Used as pharmaceutical intermediate.

InChI:InChI=1/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

Upstream product

• 7745-91-7 3-bromo-4-methylaniline 
• 104-85-8 para-methylbenzonitrile 
• 7697-26-9 3-bromo-4-methylbenzoic acid 
• 183723-09-3 3-bromo-4-methyl-benzamide 

Downstream Products

• 1195621-94-3 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde 
• 947162-60-9 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonitrile 
• 201342-56-5 (2-bromo-4-cyanophenyl)methyl acetate 
• 1268336-25-9 4-cyano-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate 
• 1177558-32-5 (3-bromo-4-methylphenyl)methanamine 
• 337520-81-7 3-(5-cyano-2-methylphenyl)-2-(E)-propen-1-ol 
• 90484-53-0 3-bromo-4-formyl-benzoic acid methyl ester 
• 90221-60-6 2-Brom-4-hydroxymethyl-benzoesaeure 
• 91760-66-6 3-bromo-4-formyl-benzoic acid 
• 90004-92-5 3-Brom-terephthalaldehydamid 
• 90110-98-8 3-bromo-4-(hydroxymethyl)benzonitrile 
• 89891-69-0 3-bromo-4-formyl benzonitrile 
• 457866-19-2 4-dimethylaminomethyl-3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-benzylamine 
• 457866-18-1 4-dimethylaminomethyl-3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-benzonitrile 

Relevant articles and documents

Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors

Pneumonia caused by bacterium S. pneumoniae is a severe acute respiratory infectious disease with high morbidity and mortality, especially for children and immunity-compromised patients. The emergence of multidrug-resistant S. pneumoniae also presents a c

A NEW TYPE OF BENZOXABOROLE-BASED ANTI-PNEUMOCOCCAL COMPOUNDS TARGETING LEUCYL-TRNA SYNTHETASE

Provided is benzoxaborole-based derivatives and their preparation and use. The structural general formula of the derivatives is (I). The derivatives are used for the preparation of a medicament for the prevention and treatment of Pneumonia. Compared with

PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES

The present invention relates in part protective groups that can be used to reversibly protect benzoxaboroles and/or oxaboroles and yield the corresponding protected complexes. The invention further relates to the use of these protective groups to protect benzoxaboroles and/or oxaboroles.