4-Toluenesulfonyl chloride
C7H7ClO2S, 190.651 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.
Identifiers
- Molecular formula
- C₇H₇ClO₂S
- Molecular weight
- 190.651 g/mol
- Exact mass
- 189.985528 g/mol
- Cc1ccc(S(=O)(=O)Cl)cc1
- InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
- YYROPELSRYBVMQ-UHFFFAOYSA-N
Measured properties
Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.
- Boiling Point
- 146 °C @ 15 MM HG
- Melting Point
- 69-71 °C
- 69-71 °C
- Flash Point
- 128 °C c.c.
- Solubility
- INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER
- Solubility in water: reaction
- Density
- 1.3 g/cm³
- 1.33 @25 °C
- Vapor Pressure
- Vapor pressure, Pa at 25 °C: 0.16
- 1 [mm Hg] @88 °C
- LogP
- 3.49
- 3.25
Calculated properties
Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.
- logP
- 1.9225
- Topological polar surface area
- 34.14 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 1
- Molar refractivity
- 44.2178 cm³/mol
- Fraction sp³ carbons
- 0.1429
- QED drug-likeness
- 0.6345
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 11
- Total atoms, hydrogen included
- 18
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aromatic ring
The molecule in three dimensions
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
Other names for it
The sources also call it P-TOLUENESULFONYL CHLORIDE, Tosyl chloride, 4-Methylbenzenesulfonyl chloride, p-Tosyl chloride, 4-methylbenzene-1-sulfonyl chloride, p-Toluenesulphonyl chloride, p-Tolylsulfonyl chloride, p-Toluenesulfochloride, tosylchloride, p-Toluenesulfonic acid chloride, p-Methylbenzenesulfonyl chloride, para-Toluenesulfonyl chloride.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 4-Toluenesulfonyl 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.
1,2,3,4-Tetrahydroquinoline
used as a reactant
C₉H₁₁N, 133.194 g/mol.
(+)-2-Cyano-2-methylhexanol
used as a reactant
C₈H₁₅NO, 141.214 g/mol.
(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
used as a reactant
C₉H₁₃NOS, 183.276 g/mol.
(+-)-2-Hydroxy-3-buten-1-yl tosylate
formed as a product
C₁₁H₁₄O₄S, 242.296 g/mol.
(9-Chloro-2,3-dihydrothieno[2,3-h][1,4]benzodioxin-2-yl)methanol
used as a reactant
C₁₁H₉ClO₃S, 256.71 g/mol.
(9-Chloro-2,3-dihydrothieno[2,3-h][1,4]benzodioxin-2-yl)methyl 4-methylbenzenesulfonate
formed as a product
C₁₈H₁₅ClO₅S₂, 410.9 g/mol.
Where these values came from
chemistry engine
What this page does not claim
The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.
Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.