Basic information
- CAS
14422-50-5- Standard SMILES
O=C(CCl)Nc1ccc(Cl)cc1C(=O)O- InChIKey
SMIHPRXPZTUBDT-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2NO3
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 246.98029844
Names & identifiers
- Preferred name
- 5-Chloro-2-((2-chloroacetyl)amino)benzoic acid
- IUPAC
- 5-chloro-2-[(2-chloroacetyl)amino]benzoic acid
- English name
- 5-Chloro-2-[(chloroacetyl)amino]benzoic acid
- Molecular formula
- C9H7Cl2NO3
- Molecular weight
- 248.06
Names & synonyms
5-chloro-2-[(2-chloroacetyl)amino]benzoic Acid5-Chloro-2-((2-chloroacetyl)amino)benzoic acidRefChem:53438214422-50-55-chloro-2-[(chloroacetyl)amino]benzoic acid5-chloro-2-(2-chloroacetamido)benzoic acidBenzoic acid, 5-chloro-2-[(2-chloroacetyl)amino]-SCHEMBL418999DTXSID00400364SMIHPRXPZTUBDT-UHFFFAOYSA-NPAA42250AKOS001359230
Show more names
N-chloroacetyl-5-chloroanthranilic acidNCGC00661161-015-chloro-2-(2-chloroacetamido)benzoicacidCS-0241675EN300-23608G380235-CHLORO-N-(2-CHLOROACETYL)ANTHRANILIC ACID1-Chloro-2-(2-carboxy-4-chlorophenyl)amino-2-oxoethane
Database identifiers
- CAS
14422-50-5- PubChem CID
- 4179825
- DTXSID
DTXSID00400364- EC Number
- 634-293-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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