3-Bromobenzylmercaptan

Base Information

• Chemical Name: 3-Bromobenzylmercaptan
• CAS No.: 886497-84-3
• Molecular Formula: C7H7BrS
• Molecular Weight: 203.10
• Hs Code.: 2930909090
• European Community (EC) Number: 678-776-0
• DSSTox Substance ID: DTXSID60375761
• Nikkaji Number: J3.660.979F
• Wikidata: Q82164426
• Mol file: 886497-84-3.mol

Synonyms:3-Bromobenzylmercaptan;(3-bromophenyl)methanethiol;886497-84-3;3-bromobenzyl mercaptan;SCHEMBL7369600;DTXSID60375761;3-bromobenzylmercaptan, AldrichCPR;MFCD06798010;AKOS000195835;PS-11936;FT-0690373;EN300-22297;J3.660.979F

Chemical Property of 3-Bromobenzylmercaptan

Chemical Property:

• Appearance/Colour: colorless to lark liquid appearing to be rotten
• Vapor Pressure: 0.0157mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 264.7 °C at 760 mmHg
• Flash Point: 113.9 °C
• PSA: 38.80000
• Density: 1.493 g/cm³
• LogP: 2.87890
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water. Soluble in toluene.
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.94518
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%Min ^*data from raw suppliers

(3-Bromophenyl)methanethiol ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CS
• Uses: For their therapeutic value as cytostatic, virostatic, anti-proliferative agents, and GABA-antagonists. As synthetic intermediates for antibiotics, antihistaminic agents, muscarinic agonists for the treatment of Alzheimer?s disease, nucleosides, rotaxanes, chemiluminiscent compounds and polyheterocyclic compounds with neuroleptic activity. Industrially as plant growth regulators, optical brighteners, corrosion inhibitors, photostabilizers for fibers, plastics or dyes. It can be used to produce (4-bromo-benzyl)-phenyl ether.