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Reference substances

Reference substances

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General information

Inventory

EC number:
203-180-0
EC name:
Toluene-4-sulphonic acid
CAS number:
104-15-4

No inventory information available

Reference substance information

IUPAC name:
4-methylbenzene-1-sulfonic acid
Synonyms
Names:
4-Methylbenzenesulfonic acid monohydrate
Benzenesulfonic acid, 4-methyl-
P-Toluenesulfonic acid monohydrate
PARA-TOLUENESULPHONIC ACID
Identifier:
CAS number
104-15-4
Identifier:
CAS number
6192-52-5
Identifier:
IUPAC name
4-methylbenzene-1-sulfonic acid
Identifier:
IUPAC name
4-methylbenzene-1-sulfonic acid hydrate
Identifier:
IUPAC name
4-methylbenzenesulfonic acid hydrate
Identifier:
other: InChl
1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Identifier:
other: Molecular formula
C7H8O3S
Identifier:
other: Molecular formula
C7H8O3S*H2O
Identifier:
other: SMILES notation
CC1=CC=C(C=C1)S(=O)(=O)O.O
Identifier:
other: Molecular formula
CH3C6H4SO3H · H2O
Identifier:
other: InChl
InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Identifier:
other: InChl
InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
Identifier:
other: SMILES notation
O=S(=O)(O)c1ccc(cc1)C
4-methylbenzenesulfonic acid

CAS information

CAS number:
104-15-4

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
6192-52-5
open allclose all
Identifier:
CAS number
Identity:
104-15-4
Identifier:
EC number
Identity:
203-180-0
Identifier:
IUPAC name
Identity:
4-methylbenzene-1-sulfonic acid
Identifier:
EC name
Identity:
Toluene-4-sulphonic acid
Identity:
p-Toluenesulfonic acid

Molecular and structural information

Molecular formula:
C7H8O3
Molecular weight:
172.2
SMILES notation:
Cc1ccc(cc1)S(=O)(=O)O
InChl:
JOXIMZWYDAKGHI-UHFFFAOYSA-N
Structural formula:
Chemical structure