1-(Bromomethyl)-4-ethynylbenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-4-ethynylbenzene
• CAS No.: 351002-91-0
• Molecular Formula: C9H7 Br
• Molecular Weight: 195.05588
• European Community (EC) Number: 842-243-2
• DSSTox Substance ID: DTXSID90699285
• Nikkaji Number: J2.875.826J
• Wikidata: Q82630155
• Mol file: 351002-91-0.mol

Synonyms:1-(Bromomethyl)-4-ethynylbenzene;351002-91-0;4-ETHYNYLBENZYL BROMIDE;MFCD18968509;Benzene, 1-(bromomethyl)-4-ethynyl-;SCHEMBL1253137;DTXSID90699285;1-Ethynyl-4-(bromomethyl)benzene;VLEIHGWNFJPIPO-UHFFFAOYSA-N;SY253572;EN300-1916578

Chemical Property of 1-(Bromomethyl)-4-ethynylbenzene

Chemical Property:

• Melting Point: 35-38 °C
• Boiling Point: 234.1±23.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 2.56280
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 193.97311
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

98%, ^*data from raw suppliers

1-(Bromomethyl)-4-ethynylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)CBr