Methyl Bromide

An organohalide, CH3Br, 94.939 g/mol. Boiling point 3.4 °C, melting point -93.7 °C, as published.

verified recordOrganic — organohalide9 measured properties

Identifiers

Molecular formula: CH₃Br
Molecular weight: 94.939 g/mol
Exact mass: 93.941812 g/mol
IUPAC name: bromomethane
SMILES: CBr
InChI: InChI=1S/CH3Br/c1-2/h1H3
InChIKey: GZUXJHMPEANEGY-UHFFFAOYSA-N

Open in ReactionLens Use 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: 38.4 °F at 760 mmHg (EPA, 1998)measured · CAMEO Chemicals; 3.4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: -136 °F (EPA, 1998)measured · CAMEO Chemicals; -93.7 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 1.73 at 32 °F (EPA, 1998) - Denser than water; will sinkmeasured · CAMEO Chemicals; 1.6755 g/cu cm at 20 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: 2 % (NIOSH, 2024)measured · CAMEO Chemicals; In water, 15,200 mg/L at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 1420 mmHg at 68 °F (EPA, 1998)measured · CAMEO Chemicals; VP: 1893 kPa at 20 °C (1420 mm Hg)measured · Hazardous Substances Data Bank (HSDB)
LogP: log Kow = 1.19measured · Hazardous Substances Data Bank (HSDB); 1.19measured · Human Metabolome Database (HMDB)
Flash Point: None (EPA, 1998)measured · CAMEO Chemicals; 194 °C /Open cup vs closed cup not specified/measured · Hazardous Substances Data Bank (HSDB)
Viscosity: 0.397 cP at 0 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1119
Refractive Index: Index of refraction: 1.4218 at 20 °C/Dmeasured · Rumble J. (ed.). CRC Handbook of Chemistry and Physics. 99th ed. Cleveland: CRC Press Inc., 2018., p. 3-8

Calculated properties

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

Molecular weight: 94.94 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 93.94181 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 1calculated · 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: 2calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 0calculated · reference compound database
logP: 1.0111calculated · 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: 14.851 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: 0.3936calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Br Bromine1 atom · 84.2% by mass
C Carbon1 atom · 12.7% by mass
H Hydrogen3 atoms · 3.2% 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: 2
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 Methyl Bromide yet.

Other names for it

The systematic name on this record is bromomethane.

The sources also call it Bromomethane, Monobromomethane, Embafume, Terabol, methylbromide, Curafume, Metafume, Haltox, CH3Br, Mebr, Methane, bromo-.

Structurally related

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

Where these values came from

reference compound database6323
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.