Basic information
- CAS
434-76-4- Standard SMILES
Nc1cccc(F)c1C(=O)O- InChIKey
RWSFZKWMVWPDGZ-UHFFFAOYSA-N- Molecular formula
- C7H6FNO2
- Average molar mass
- 155.13 g/mol
- Monoisotopic mass
- 155.03825665
Overview
2-Amino-6-fluorobenzoic acid is an aminobenzoic acid.
Names & identifiers
- Preferred name
- 2-Amino-6-fluorobenzoic acid
- IUPAC
- 2-amino-6-fluorobenzoic acid
- English name
- 2-Amino-6-fluorobenzoic acid
- Molecular formula
- C7H6FNO2
- Molecular weight
- 155.13
Names & synonyms
2-Amino-6-fluorobenzoic acid434-76-4DTXSID609630066-FABA cpdRefChem:85312DTXCID301456700627-707-26-Fluoroanthranilic acidAnthralic acid, 6-fluoro-benzoic acid, 2-amino-6-fluoro-MFCD000677816-fluoroanthranilate
Show more names
BUTTPARK 44\01-59TIMTEC-BB SBB006549RARECHEM AL BO 02792-Amino-6-Fluorobenzoic2-amino-6-fluorobenzoate6-FluoroanthranilicAcid>2-aMino-6-flourobenzoicacid
2-amino-6-fluoro-benzoic acid2-Azanyl-6-Fluoranyl-Benzoic Acid6-FABA2-Amino-6-fluorobenzoicacid2-amino-6-luorobenzoic acid6-amino-2-fluorobenzoic acidSCHEMBL283962AC-3438
Database identifiers
- CAS
434-76-4- PubChem CID
- 521142
- DTXSID
DTXSID60963006- ChEMBL
CHEMBL4453722- ChEBI
CHEBI:194591
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 167 · 167-169 °C (lit.)
- Boiling point
- 223.67 °C · 223.67°C (rough estimate)
- Density
- 1.3021 · 1.3021 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- pka
- 4.01 · 4.01±0.10(Predicted)
- form
- Crystalline Powder
- color
- Yellow to brown
- BRN
- 3540926 · 3540926
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
- InChIKey
- RWSFZKWMVWPDGZ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=C(F)C=CC=C1N
- CAS DataBase Reference
- 434 · 434-76-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 6 · Anthralic acid, 6-fluoro-(434-76-4)
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 7 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- 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
Applications
UsesUsed in the synthesis of a novel benzamide with potent neuroleptic activity. 5- fluoro-2-methyl-3,l-benzoxazin-4-one was obtained from 2-amino-6-fluorobenzoic acid. The condensation of 2-amino-6-fluorobenzoic acid methyl ester and (4-fluorophenyl) acetyl chloride with N,N-dimethylamino-4-pyridine in CH 2 Cl 2 to give 2-fluoro-6-[2-(4-fluoro-phenyl)-acetylamino]-benzoic acid methyl ester in 61% yield. 2 Amino 6 fluorobenzoic acid is another easily ac cessible synthon for construction of monofluorinated heterocycles. Reactions of 2,3,4,6-tetra-O-acetyl-n-D_glucopyranosyl bromide (2) with p-hydroxybenzaldehyde, trifluoromethyl and fluoro substi- tuted aniline and 2-amino-6-fluorobenzoic acid gave lO-(Pformyl- pheny1)-2,3,4,6-tetra-O-acetyl-(3-D-glucopyranoside. 2-Fluoro-6-iodobenzoic acid,a loose white crystal,was synthesized by using 2-amino-6-fluorobenzoic acid as the starting material.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
58 records
Compound notes
Loading…