2-Amino-3-chlorobenzoic acid
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Basic information
- CAS
6388-47-2- Standard SMILES
Nc1c(Cl)cccc1C(=O)O- InChIKey
LWUAMROXVQLJKA-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.00870611
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
- 171.58
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
2-Amino-3-chL2-Amino-3-chloroBUTTPARK 24\07-98TIMTEC-BB SBB0038442-Amino-3-chlorbenzoesure3-ChloroanthranilicAcid>3-CHLORO-2-AMINOBENZOIC ACID
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
6388-47-2- PubChem CID
- 80807
- DTXSID
DTXSID00213395- ChEMBL
CHEMBL5266424- UNII
- S5MV8K3M94
- EC Number
- 228-996-4
- Nikkaji
- J81.210B
Properties
Computed structural propertiesFilling in
- 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
Physicochemical properties
- Melting point
- 189 · 189-191 °C (lit.)
- Boiling point
- 0 °C · 0°C
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- Flash point
- 0 °C · 0°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO, Methanaol
- pka
- 4.57 · 4.57±0.10(Predicted)
- form
- Solid
- color
- Yellow to brown
- Water Solubility
- Soluble in water.
- Sensitive
- Air & Light Sensitive
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
- InChIKey
- LWUAMROXVQLJKA-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC(Cl)=C1N
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
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%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses2-Amino-3-chlorobenzoic acid is used as pharmaceutical intermediates.
Uses2-Amino-3-chlorobenzoic Acid is a plant growth regulator.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
59 records
Compound notes
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