Bromotrifluoromethane

An inorganic compound, CBrF3, 148.909 g/mol. Boiling point -57.8 °C @ 760 mm Hg, melting point -172 °C, as published.

verified recordInorganic compound8 measured properties

Identifiers

Molecular formula: CBrF₃
Molecular weight: 148.909 g/mol
Exact mass: 147.913547 g/mol
IUPAC name: bromo(trifluoro)methane
SMILES: FC(F)(F)Br
InChI: InChI=1S/CBrF3/c2-1(3,4)5
InChIKey: RJCQBQGAPKAMLL-UHFFFAOYSA-N

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Measured properties

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

Boiling Point: -72 °F at 760 mmHg (NIOSH, 2024)measured · CAMEO Chemicals; -57.8 °C @ 760 mm Hgmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: -267 °F (NIOSH, 2024)measured · CAMEO Chemicals; -172 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 1.5800 g/ml @ 20 °C (liq)measured · Hazardous Substances Data Bank (HSDB); Critical volume: 200 cu m/mol; critical density: 0.745 g/cu cm; specific heat of liquid: 0.208 cal/g at 25 °C; specific heat of vapor: 0.112 cal/g at 25 °C and 1 atm.measured · Hazardous Substances Data Bank (HSDB)
Solubility: 0.03 % (NIOSH, 2024)measured · CAMEO Chemicals; Sol in chloroformmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: greater than 1 atm (NIOSH, 2024)measured · CAMEO Chemicals; 1.22X10+4 mm Hg @ 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
LogP: log Kow= 1.86measured · Hazardous Substances Data Bank (HSDB); 1.86measured · ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.157 mPa.s @ 25 °C (liq); 0.0154 mPa.s @ 25 °C - 101.3 kPa (vapor)measured · Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V10 869
Refractive Index: Index of refraction: 1.238 @ 25 °C/Dmeasured · Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V11 (94) 516

Calculated properties

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

Molecular weight: 148.91 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 147.91355 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 2.2calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 0 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 28calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 3calculated · reference compound database
logP: 1.9011calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 0 Å²calculated · 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: 0calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 0calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 14.982 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.461calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Br Bromine1 atom · 53.7% by mass
F Fluorine3 atoms · 38.3% by mass
C Carbon1 atom · 8.1% by mass

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

Structure

Heavy atoms, hydrogen excluded: 5
Total atoms, hydrogen included: 5
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

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 Bromotrifluoromethane yet.

Other names for it

The systematic name on this record is bromo(trifluoro)methane.

The sources also call it Bromofluoroform, Trifluorobromomethane, Trifluoromethyl bromide, Halon 1301, Monobromotrifluoromethane, FREON 13B1, Methane, bromotrifluoro-, Refrigerant 13B1, Daiflon 13B1, Khladon 13B1, Fluorocarbon 1301.

Structurally related

Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.

1,2-Dibromo-1,1,2,2-tetrafluoroethane

C2Br2F4

1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane

C3Br2F6

Where these values came from

reference compound database6384
compound record
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.