Benzyltrimethylammonium tribromide

Catalog NumberACM111865475

CAS Number111865-47-5

CategoryAmmonium-Based Ionic Liquids

Synonyms

Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide

IUPAC Name

benzyl(trimethyl)azanium;tribromide

Molecular Weight

389.96

Molecular Formula

C10H16Br3N

Canonical SMILES

C[N+](C)(C)CC1=CC=CC=C1.Br[Br-]Br

InChI

InChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1

InChI Key

OQESKQAHRXOSMS-UHFFFAOYSA-N

Melting Point

99-101 °C

Purity

99%

Appearance

Orange yellow crystal

Storage

Keep in dark place, Inert atmosphere, Room Temperature

Complexity

107

Covalently-Bonded Unit Count

2

Exact Mass

388.88124

Hazard Statements

Xi:Irritant;

Heavy Atom Count

14

Monoisotopic Mass

386.88329

Topological Polar Surface Area

0 Ų

WGK Germany

3

• Synonyms: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide
• IUPAC Name: benzyl(trimethyl)azanium;tribromide
• Molecular Weight: 389.96
• Molecular Formula: C10H16Br3N
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br[Br-]Br
• InChI: InChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
• InChI Key: OQESKQAHRXOSMS-UHFFFAOYSA-N
• Melting Point: 99-101 °C
• Purity: 99%
• Appearance: Orange yellow crystal
• Storage: Keep in dark place, Inert atmosphere, Room Temperature
• Complexity: 107
• Covalently-Bonded Unit Count: 2
• Exact Mass: 388.88124
• Hazard Statements: Xi:Irritant
• Heavy Atom Count: 14
• Monoisotopic Mass: 386.88329
• Topological Polar Surface Area: 0 Ų
• WGK Germany: 3