3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 113170-72-2
• Molecular Formula: C7H6BrF3N2
• Molecular Weight: 255.037
• Hs Code.: 29039990
• European Community (EC) Number: 625-719-2
• DSSTox Substance ID: DTXSID50352829
• Nikkaji Number: J582.719A
• Wikidata: Q27466879
• Mol file: 113170-72-2.mol

Synonyms:113170-72-2;3-bromo-5-(trifluoromethyl)benzene-1,2-diamine;3-Bromo-4,5-diaminobenzotrifluoride;3-Bromo-5-trifluoromethyl-1,2-phenylenediamine;C7H6BrF3N2;1,2-diamino-3-bromo-5-(trifluoromethyl)benzene;MFCD00042484;1,2-Diamino-3-bromo-5-trifluoromethyl benzene;SCHEMBL414157;AMY8629;DTXSID50352829;AKOS015890356;CS-W005049;PS-7411;BP-10357;3-Bromo-4,5-diaminobenzotrifluoride, 97%;FT-0615146;1,2-diamino-3-bromo-5-trifluoromethylbenzene;3-bromo-5-trifluoromethyl-1,2-benzenediamine;1-Bromo-2,3-diamino-5-(trifluoromethyl)benzene;A803025;W-204807;Q27466879;UFV

Chemical Property of 3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• Appearance/Colour: white to pinkish-brown powder
• Vapor Pressure: 0.00557mmHg at 25°C
• Melting Point: 60-64 °C
• Refractive Index: 1.573
• Boiling Point: 273.9 °C at 760 mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 119.5 °C
• PSA: 52.04000
• Density: 1.774 g/cm³
• LogP: 3.79470
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 253.96665
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-4,5-diaminobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T
• Hazard Codes: Xn,T
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)N)Br)C(F)(F)F