Basic information
- Standard SMILES
Nc1c(Cl)cccc1C(=O)O- InChIKey
LWUAMROXVQLJKA-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-chlorobenzoic acid
- IUPAC
- 2-amino-3-chlorobenzoic acid
- English name
- 2-aMino-3-chlorobenzoic acid
- Molecular formula
- C7H6ClNO2
- Molecular weight
- 171.58104
Names & synonyms
2-Amino-3-chlorobenzoic acid6388-47-23-Chloroanthranilic acidBenzoic acid, 2-amino-3-chloro-Anthranilic acid, 3-chloro-DTXSID00213395EINECS 228-996-4NSC 20671RefChem:851142-amino-3-chlorobenzoateDTXCID00135886228-996-4
Show more names
InChI=1/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11LWUAMROXVQLJKA-UHFFFAOYSA-N2-amino-3-chloro-benzoic acidMFCD00134229NSC-20671Amino-3-chlorobenzoic acid3-Chloro-2-amino benzoic acidNSC20671
Database identifiers
- CAS
1052541-17-9- ChEMBL
CHEMBL5266424- UNII
- S5MV8K3M94
- EC Number
- 228-996-4
- Nikkaji
- J81.210B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H315 (97.7%): 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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