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Cyanogen Bromide

An inorganic compound, CBrN, 105.922 g/mol. Boiling point 61.5 °C, melting point 52 °C, as published.

verified record, Inorganic compound, 6 measured properties

Identifiers

Molecular formula
CBrN
Molecular weight
105.922 g/mol
Exact mass
104.921411 g/mol
SMILES
N#CBr
InChI
InChI=1S/CBrN/c2-1-3
InChIKey
ATDGTVJJHBUTRL-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point
142 °F at 760 mmHg (EPA, 1998)measured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
61.5 °Cmeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 4-56
61-62 °Cmeasured · reference compound database
61.6 °C @760 [mm Hg]measured · reference compound database
Melting Point
126 °F (EPA, 1998)measured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
52 °Cmeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 4-56
52 °Cmeasured · reference compound database
52 °Cmeasured · reference compound database
Flash Point
Not Applicable. Not flammable. (USCG, 1999)measured · U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
Solubility
In water, soluble with hydrolysismeasured · Kopras EJ; Cyanides and Nitriles. Patty's Toxicology. 6th ed. (1999-2013). New York, NY: John Wiley & Sons. On-line posting date: 17 Aug 2012
Soluble in ethanol, ethyl ethermeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 4-56
Soluble in benzenemeasured · Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 355
Aqueous solutions of alkalies decomposes /cyanogen bromide/ to alkali cyanide and alkali bromidemeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 478
For more Solubility (Complete) data for CYANOGEN BROMIDE (6 total), please visit the HSDB record page.measured · reference compound database
Solubility in water: slow reactionmeasured · reference compound database
Density
2.015 at 68 °F (EPA, 1998) - Denser than water; will sinkmeasured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
2.015 g/cu cm at 20 °Cmeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 4-56
Percent in saturated air: 12.1% (20 °C); density of saturated air: 1.32 (20 °C)measured · Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4862
2.0 g/cm³measured · reference compound database
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.53measured · reference compound database
2.015 @ 20°Cmeasured · reference compound database
Vapor Pressure
92 mmHg at 68 °F (EPA, 1998)measured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
122.0 [mmHg]measured · reference compound database
Vapor pressure = 115.6 mm Hg at 25 C /extrapolated/measured · Perry RH, Green D; Perry's Handbook of Physical and Chemical Data 6th ed. NY,NY: McGraw-Hill (1984)
122 mm Hg at 25 °Cmeasured · Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ Co: Tokyo, Japan (1976)
Vapor pressure, kPa at 25 °C: 16.2measured · reference compound database
122 [mm Hg] @25 °Cmeasured · reference compound database

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

logP
0.8624calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
23.79 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
1calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
14.54 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.4488calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
3
Total atoms, hydrogen included
3
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

Functional groups

  • Nitrile

    A carbon–nitrogen triple bond.

  • Halide (C–X)

    A halogen atom attached to carbon.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Cyanogen Bromide yet.

Other names for it

No systematic name is recorded.

The sources also call it Bromine cyanide, Cyanobromide, Bromocyanide, Bromocyanogen, carbononitridic bromide, Bromocyan, Campilit, Cyanogen monobromide, Bromure de cyanogen, Bromocyane, Cyanogen bromide (BrCN), Cyanogen bromide ((CN)Br).

Structurally related

Nothing structurally close to Cyanogen Bromide has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Cyanogen Bromide. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

(2-(Cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)benzyl)cyanamide

formed as a product

C₂₆H₂₅F₉N₂O, 552.481 g/mol.

(2-Bromo-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)benzyl)cyanamide

formed as a product

C₁₈H₁₀BrF₉N₂, 505.178 g/mol.

(4-Bromo-3-methoxyphenyl)cyanamide

formed as a product

C₈H₇BrN₂O, 227.061 g/mol.

Where these values came from

  • chemistry engine

    structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

More molecules under C

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with CBrN in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Cyanogen Bromide for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.