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Benzyl Chloride

An aromatic organohalide, C7H7Cl, 126.586 g/mol. Boiling point 174 °C, melting point -39.4 °C, as published.

verified record, Organic — aromatic organohalide, 8 measured properties

Identifiers

Molecular formula
C₇H₇Cl
Molecular weight
126.586 g/mol
Exact mass
126.023628 g/mol
IUPAC name
chloromethylbenzene
SMILES
ClCc1ccccc1
InChI
InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
KCXMKQUNVWSEMD-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
354 °F at 760 mmHg (EPA, 1998)measured · CAMEO Chemicals
174 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point
-54 to -45 °F (EPA, 1998)measured · CAMEO Chemicals
-39.4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density
1.1 at 68 °F (EPA, 1998) - Denser than water; will sinkmeasured · CAMEO Chemicals
1.1004 g/cu cm at 20 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility
Reaction (NTP, 1992)measured · CAMEO Chemicals
In water, 525 mg/L at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure
1 mmHg at 71.6 °F (EPA, 1998)measured · CAMEO Chemicals
1.23 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
LogP
log Kow = 2.30measured · Hazardous Substances Data Bank (HSDB)
2.3measured · ILO-WHO International Chemical Safety Cards (ICSCs)
Flash Point
153 °F (EPA, 1998)measured · CAMEO Chemicals
153 °Fmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Refractive Index
Index of refraction: 1.5391 at 20 °C/Dmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-110
Index of refraction: 1.5415 at 15 °C/D; very refractivemeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 199

Calculated properties

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

Molecular weight
126.58 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
126.0236279 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
2.3calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
0 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
55calculated · 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
2.4254calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
0 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
0calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
1calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
35.999 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.1429calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.5073calculated · 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
8
Total atoms, hydrogen included
15
Rings
1
Aromatic rings
1
Stereocentres
0
Formal charge
0

Functional groups

  • Halide (C–X)

    A halogen atom attached to carbon.

  • Aromatic ring

    A flat six-membered ring with delocalised electrons.

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 Benzyl Chloride yet.

Other names for it

The systematic name on this record is chloromethylbenzene.

The sources also call it (Chloromethyl)benzene, Chloromethylbenzene, alpha-Chlorotoluene, Benzylchloride, Benzylchlorid, Chlorophenylmethane, Tolyl chloride, Chlorure de benzyle, alpha-Chlortoluol, omega-Chlorotoluene, Benzene, (chloromethyl)-.

Structurally related

Nothing structurally close to Benzyl Chloride has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Benzyl Chloride. 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.

1,4-Dioxane

used as a reactant

C₄H₈O₂, 88.106 g/mol.

1,3-dihydro-1-(4-chlorophenyl)-3-(4-pyridinylmethyl)-2H-pyrrolo[2,3-b]pyridin-2-one

used as a reactant

C₁₉H₁₄ClN₃O, 335.794 g/mol.

(3S,4S)-tert-Butyl 3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate

used as a reactant

C₁₆H₂₃NO₄, 293.363 g/mol.

Where these values came from

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 B

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

Molar mass calculator

Work with C7H7Cl in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Benzyl Chloride 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.