Basic information
- CAS
554426-45-8- Standard SMILES
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)O)c1- InChIKey
BQLSFKJFZAEIQJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- 3-[Cyclohexyl(methyl)sulfamoyl]benzoic acid
- IUPAC
- 3-[cyclohexyl(methyl)sulfamoyl]benzoic acid
- English name
- Benzoic acid, 3-[(cyclohexylmethylamino)sulfonyl]-
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
554426-45-83-[cyclohexyl(methyl)sulfamoyl]benzoic acid3-(cyclohexyl(methyl)sulfamoyl)benzoic acidRefChem:494738984-267-73-(N-Cyclohexyl-N-methylsulfamoyl)benzoic acidMFCD046059073-(Cyclohexyl-methyl-sulfamoyl)-benzoic acidEXA42645AKOS000118694DA-24525CS-0220404
Show more names
Benzoic acid, 3-[(cyclohexylmethylamino)sulfonyl]-
3-(N-Cyclohexyl-N-methylsulfamoyl)benzoicacidEN300-06568G42978SR-01000043504SR-01000043504-1Z53035615
Database identifiers
- CAS
554426-45-8- PubChem CID
- 2467370
- EC Number
- 984-267-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 485.6 · 485.6±47.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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