carbononitridic bromide

• ChemBase ID: 105469
• Molecular Formular: CBrN
• Molecular Mass: 105.9214
• Monoisotopic Mass: 104.92141101
• SMILES: BrC#N
• Canonical SMILES: BrC#N
• InChI: InChI=1S/CBrN/c2-1-3
• InChIKey: ATDGTVJJHBUTRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbononitridic bromide
• IUPAC Systematic name: Bromidonitridocarbon
• IUPAC Traditional name: cyanogen bromide
• Synonyms: Cyanogen bromide; Bromocyan; Bromocyanide; Bromocyanogen; Campilit; Cyanobromane; Cyanobromide; Bromine Monocyanide; NSC 89684; Bromine cyanide; CYANOGEN BROMIDE; Cyanogen bromide solution; 氰化溴; 溴化氰; 溴化氰 溶液

Database IDs

• CAS Number: 506-68-3
• EC Number: 208-051-2
• MDL Number: MFCD00011597
• Beilstein Number: 1697296
• Merck Index: 142693
• PubChem SID: 24871758; 24861007; 24893137; 24855824; 162092811; 24850222
• PubChem CID: 10476
• Chemspider ID: 10044
• MeSH Name: Cyanogen+Bromide
• Wikipedia Title: Cyanogen_bromide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.675621
• LogD (pH = 7.4): 0.675621
• Log P: 0.675621
• Molar Refractivity: 15.3908 cm^3
• Polarizability: 5.6303854 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Reacts in water
• Apperance: Colorless crystals; Crystalline; White Low Melting Solid
• Melting Point: 49-52 °C (120-124 °F); 50 - 53°C; 50-52°C; 50-53 °C(lit.)
• Boiling Point: 61 - 62°C; 61.4°C; 61-62 °C (142-144 °F); 61-62 °C(lit.)
• Flash Point: 42.8 °F; 6 °C
• Density: 1.093 g/mL at 25 °C; 1.443 g/mL at 25 °C; 2.0 (water = 1); 2.015; 2.015 g mL^-1
• Vapor Pressure: 100 mmHg ( 22.6 °C); 16.2 kPa; 92 mm Hg (12.3 kPa) at 20 °C
• Vapor Density: 3.6 (air = 1); 3.65 (vs air)
• Std enthalpy of formation: 136.1–144.7 kJ mol^-1

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen; Refrigerator, Under Inert Atmosphere
• RTECS: GT2100000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); Highly toxic (T+)
• UN Number: 1889; 3384; 3390; UN1889
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 1; I; Truck Only (Not for Export)
• Australian Hazchem: 2XE
• Risk Statements: 11-26/27/28-32-34-50/53; 26/27/28-32-34-40-51/53; 26/27/28-32-34-50/53; R:35; R26/27/28, R34, R50/53
• Safety Statements: 16-26-28-36/37/39-45-61; 26-28-36/37/39-45-61; 7-26-28-29-36/37/39-45-60-61; 7-28-29-45-60-61; S:26-27/28-36/37/39-46-64; S36/37/39, S45
• EU Classification: TC2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 157
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS environment; GHS skull and crossbones; GHS02; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  0

  4

  1
• Permissible exposure limit: 5 mg m^-3
• GHS Hazard statements: 300, 310, 314, 330, 410; H225-H300-H310-H314-H330-H410; H300 +H310 + H330-H314-H410; H300-H310-H330-H400-H410; H300-H311-H314-H330-H351-H411
• GHS Precautionary statements: 260, 273, 280, 284, 302+350; P210-P260-P264-P273-P280-P284; P260-P264-P273-P280-P284-P301 + P310; P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1889 6.1/PG 1; UN 3384 6.1/PG 1; UN 3390 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (RT); ≥98.5% (RT); 97%; 99.995% trace metals basis
• Concentration: 3.0 M in methylene chloride; 5.0 M in acetonitrile
• Grade: purum; reagent grade
• Linear Formula: BrCN

DETAILS

MP Biomedicals - 02190314

Reagent for selective peptide cleavage.

Sigma Aldrich - 16772

Other Notes
Reagent for the selective cleavage of peptide bonds (e.g. methionine)1,2

Sigma Aldrich - C91492

Application
For peptide cleavage1 and use in protein immobilization procedures.2 Reaction with C60Ph5Cl produces a novel phenylated isoquinolino[3′,4′:1,2][60]fullerene.3
Packaging
25, 100, 500 g in glass bottle

Sigma Aldrich - 261610

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 481432

Application
Reaction with C60Ph5Cl produces a novel phenylated isoquinolino[3′,4′:1,2][60]fullerene.1

Sigma Aldrich - 341894

Packaging
100 mL in glass bottle

REFERENCES

• Methods in Enzymology , XI : 238 (1967).
• AVAILABLE IN USA ONLY
• NOT FOR EXPORT
• Source of electrophilic cyanide. Reagent for the von Braun cleavage of tertiary amines: Org. React., 7, 198 (1953), for example demethylation of tertiary amines: J. Am .Chem. Soc., 89, 1942 (1967). For use in the cleavage of 2-trimethylsilylethyl sulfides in the prepaparation of nucleoside thiocyanates, see: J. Org. Chem., 67, 1898 (2002), and references therein. For a brief feature on its uses in synthesis, see: Synlett, 1638 (2005).