N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
Basic information
- CAS
2114-68-3- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Cl- InChIKey
QQLNFWFHBAFHPR-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O4S
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0284558
Names & identifiers
- Preferred name
- N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
- IUPAC
- 2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid
- English name
- 2-Benzylamino-4-chloro-5-sulfamoylbenzoic acid
- Molecular formula
- C14H13ClN2O4S
- Molecular weight
- 340.78
Names & synonyms
2114-68-3N-Benzyl-4-chloro-5-sulfamoylanthranilic acidDTXSID10350881RefChem:829170DTXCID00301948621-931-42-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid2-Benzylamino-4-chloro-5-sulfamoylbenzoic acidCHEMBL52821314-chloro-2-[benzylamino]-5-sulfamoylbenzoic acidSCHEMBL1716052BDBM50614900
Show more names
TIMTEC-BB SBB005969
MFCD01321358SBB005969AKOS015889301ST0576252-benzylamino-4-chloro-5-sulphamoyl benzoic acidN-Benzyl-4-chloro-5-sulfamoylanthranilic acid, 98%Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(phenylmethyl)amino]-
Database identifiers
- CAS
2114-68-3- PubChem CID
- 688341
- DTXSID
DTXSID10350881- ChEMBL
CHEMBL5282131- EC Number
- 621-931-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 245 · 245-248 °C (lit.)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
General DescriptionN-Benzyl-4-chloro-5-sulfamoylanthranilic acid, a sulfonamide derivative, is an organic building block that is employed in organic synthesis.
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Related reactions
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Compound notes
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