Methyl 4-sulphamoylbenzoate
Basic information
- CAS
22808-73-7- Standard SMILES
COC(=O)c1ccc(S(N)(=O)=O)cc1- InChIKey
XLOVNJUCAFIANM-UHFFFAOYSA-N- Molecular formula
- C8H9NO4S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.02522894
Names & identifiers
- Preferred name
- Methyl 4-sulphamoylbenzoate
- IUPAC
- methyl 4-sulfamoylbenzoate
- English name
- methyl 4-sulphamoylbenzoate
- Molecular formula
- C8H9NO4S
- Molecular weight
- 215.23
Names & synonyms
22808-73-7Methyl 4-sulphamoylbenzoate4-MethoxycarbonylbenzenesulfonamideNSC 251214Methyl p-(Aminosulfonyl)benzoateBenzoic acid, 4-(aminosulfonyl)-, methyl esterMethyl 4-(aminosulfonyl)benzoateEINECS 245-235-10OTO8N4C4Kp-Carboxybenzenesulfonamide Methyl Ester4-Sulfamoylbenzoic Acid Methyl EsterNSC-251214
Show more names
p-SulfaMoyl-benzoic Acid Methyl Ester
DTXSID10177358RefChem:816584DTXCID2099849245-235-1methyl 4-sulfamoylbenzoateBenzoic acid,4-(aminosulfonyl)-, methyl esterMFCD037685004-(Aminosulfonyl)benzoic acid methyl ester
Database identifiers
- CAS
22808-73-7- PubChem CID
- 89847
- DTXSID
DTXSID10177358- ChEMBL
CHEMBL148763- UNII
- 0OTO8N4C4K
- EC Number
- 245-235-1
- Nikkaji
- J286.315D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP0.64
Physicochemical properties
- Melting point
- 181 · 181-182°C
- Boiling point
- 388.5 · 388.5±44.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 9.75 · 9.75±0.10(Predicted)
- color
- White
- FDA UNII
- 0 OTO8N4C4K · 0OTO8N4C4K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916310090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Applications
UsesMethyl 4-Sulfamoylbenzoate (cas# 22808-73-7) is a compound useful in organic synthesis.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
20 records
Compound notes
Loading…