Basic information
- CAS
635-21-2- Standard SMILES
Nc1ccc(Cl)cc1C(=O)O- InChIKey
IFXKXCLVKQVVDI-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.00870611
Overview
2-amino-5-chlorobenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by amino and chloro groups, respectively. It is an aminobenzoic acid, a chlorobenzoic acid and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- 2-Amino-5-chlorobenzoic acid
- IUPAC
- 2-amino-5-chlorobenzoic acid
- English name
- 2-Amino-5-chlorobenzoic acid
- Molecular formula
- C7H6ClNO2
- Molecular weight
- 171.58
Names & synonyms
2-AMINO-5-CHLOROBENZOIC ACID635-21-25-Chloroanthranilic acid5-Chloro-2-aminobenzoic acidBenzoic acid, 2-amino-5-chloro-Anthranilic acid, 5-chloro-2-carboxy-4-chloroanilineUNII-Z2Y66JMI31Z2Y66JMI31AI3-15229EINECS 211-230-8NSC 404157
Show more names
2-Amino-5-chLRARECHEM AL BO 02885-ChloranthranilsureOTAVA-BB BB70200407725-Chloro-2-amino acid2-amino-5-chloro-benzoicaci
NSC-404157DTXSID8060901CHEBI:1668535Chloroanthranilic acidRefChem:852605Chloro2aminobenzoic acidAnthranilic acid, 5chloroBenzoic acid, 2amino5chloro
Database identifiers
- CAS
635-21-2- PubChem CID
- 12476
- DTXSID
DTXSID8060901- ChEMBL
CHEMBL36767- ChEBI
CHEBI:166853- UNII
- Z2Y66JMI31
- EC Number
- 211-230-8
- Nikkaji
- J96.204J
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
LogP2.0
Vapor Pressure0.0000532 [mmHg]
Physical DescriptionTan chunks or powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 204 · 204-206 °C (dec.) (lit.)
- Boiling point
- 250 °C · 250°C (rough estimate)
- Density
- 1.3246 · 1.3246 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.57 · 4.57±0.10(Predicted)
- color
- White to Pale Grey
- Water Solubility
- Soluble in water.
- BRN
- 639027 · 639027
- Major Application
- peptide synthesis
- InChI
- 1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
- InChIKey
- IFXKXCLVKQVVDI-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Cl)cc1C(O)=O
- CAS DataBase Reference
- 635 · 635-21-2(CAS DataBase Reference)
- FDA UNII
- 2 Y66JMI31 · Z2Y66JMI31
- NIST Chemistry Reference
- 2 · Benzoic acid, 2-amino-5-chloro-(635-21-2)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-amino-5-chloro- (635-21-2)
- UNSPSC Code
- 12352200 · 12352200
- 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
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-37/38-36
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29224999 · 29224999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-amino-5-chloro-
2-Amino-5-chlorobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224999
- risk_code
- 36/37/38-37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- 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
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-5-chloro-: ACTIVE
Applications
Uses2-Amino-5-chlorobenzoic acid is used in the preparation of disease-modifying antirheumatic drugs (DMARDs). Also used to produce 6-chloro-3H-quinazolin-4-one at temperature of 180°C.
Uses2-Amino-5-chlorobenzoic acid is a chlorinated derivative of antharilic acid,it is a metabolite of the pesticide Chlordimeform and it is used in the preparation of disease-modifying antirheumatic drugs (DMARDs).
Uses5-Chloroanthranilic Acid is a chlorinated derivative of anthranilic acid. 5-Chloroanthranilic Acid is a metabolite of the pesticide Chlordimeform. 5-Chloroanthranilic Acid is used in the preparation o f disease-modifying antirheumatic drugs (DMARDs).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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Additional notes
DefinitionChEBI: 2-amino-5-chlorobenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by amino and chloro groups, respectively. It is an aminobenzoic acid, a member of monochlorobenzenes and a chlorobenzoic acid.
Related reactions
141 records
Compound notes
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