(2,6-Dichloro-benzenesulfonylamino)-acetic acid
Basic information
- CAS
19818-06-5- Standard SMILES
O=C(O)CNS(=O)(=O)c1c(Cl)cccc1Cl- InChIKey
QRVMUGYJNLHEJY-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO4S
- Average molar mass
- 284.12 g/mol
- Monoisotopic mass
- 282.9472843
Names & identifiers
- Preferred name
- (2,6-Dichloro-benzenesulfonylamino)-acetic acid
- IUPAC
- 2-[(2,6-dichlorophenyl)sulfonylamino]acetic acid
- English name
- (2,6-Dichloro-benzenesulfonylamino)-acetic acid
- Molecular formula
- C8H7Cl2NO4S
- Molecular weight
- 284.12
Names & synonyms
19818-06-5(2,6-Dichloro-benzenesulfonylamino)-acetic acidDTXSID50351332RefChem:205620DTXCID40302398((2,6-dichlorophenyl)sulfonyl)glycine2-[(2,6-dichlorophenyl)sulfonylamino]acetic AcidGlycine, N-[(2,6-dichlorophenyl)sulfonyl]-2-(2,6-dichlorobenzenesulfonamido)acetic acid2-(2,6-dichlorophenylsulfonamido)acetic acid2-{[(2,6-dichlorophenyl)sulfonyl]amino}acetic acidMLS000775803
Show more names
2-([(2,6-DICHLOROPHENYL)SULFONYL]AMINO)ACETIC ACID
CHEMBL1734022SCHEMBL31381967HMS2757P09AKOS000805739HY-W029652SMR000369363N-(2,6-Dichlorobenzene-1-sulfonyl)glycineCS-0073676
Database identifiers
- CAS
19818-06-5- PubChem CID
- 697935
- DTXSID
DTXSID50351332- ChEMBL
CHEMBL1734022- EC Number
- 180-921-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Solubility>42.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 171 · 171-172 °C(Solv: acetone (67-64-1))
- Boiling point
- 486.9 · 486.9±55.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- pka
- 3.18 · 3.18±0.10(Predicted)
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%)
Chemistry & industry
Applications
Uses((2,6-Dichlorophenyl)sulfonyl)glycine is a Glycine (HY-Y0966) derivative[1].
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Related reactions
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Compound notes
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