2-Acetamido-6-chlorobenzoic acid
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Basic information
- CAS
19407-42-2- Standard SMILES
CC(=O)Nc1cccc(Cl)c1C(=O)O- InChIKey
VFHSJTHAMJFUCK-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 2-Acetamido-6-chlorobenzoic acid
- IUPAC
- 2-acetamido-6-chlorobenzoic acid
- English name
- 2-ACETAMIDO-6-CHLOROBENZOIC ACID
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.62
Names & synonyms
2-Acetamido-6-chlorobenzoic acid2-chloro-6-acetamidobenzoic acid2-(acetylamino)-6-chlorobenzoic acidSVY7PS3MFDBenzoic acid, 2-(acetylamino)-6-chloro-EINECS 243-040-6DTXSID40173025RefChem:84942DTXCID8095516243-040-6VFHSJTHAMJFUCK-UHFFFAOYSA-N19407-42-2
Show more names
NISTC194074222-Acetamido-6-chlorobenzoec acidN-acetyl-6-chloro anthranilic acid2-Acetamido-6-chlorobenzoic acid-99%2-[(3-bromoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid
2-(n-acetylamino)-6-chlorobenzoic acid2-acetamido-6-chloro-benzoic acid2-Acetylamino-6-chlorobenzoic acidUNII-SVY7PS3MFDOprea1_178473MLS000085818SCHEMBL68012782-Acetamido-6-chlorobenzoicacid
Database identifiers
- CAS
19407-42-2- PubChem CID
- 88044
- DTXSID
DTXSID40173025- ChEMBL
CHEMBL1326070- UNII
- SVY7PS3MFD
- EC Number
- 243-040-6
- Nikkaji
- J242.805I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 216 · 216-218°C
- Boiling point
- 429.5 · 429.5±35.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.21 · 2.21±0.10(Predicted)
- Appearance
- Off-white to gray Solid
- BRN
- 784450 · 784450
- CAS DataBase Reference
- 19407 · 19407-42-2(CAS DataBase Reference)
- FDA UNII
- 7 PS3MFD · SVY7PS3MFD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
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 5 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
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
1 records
Compound notes
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