2-Amino-5-fluorobenzoic acid (HCID 101412)

Names & identifiers

Preferred name: 2-Amino-5-fluorobenzoic acid
IUPAC: 2-amino-5-fluorobenzoic acid
English name: 2-Amino-5-fluorobenzoic acid
Molecular formula: C7H6FNO2
Molecular weight: 155.13

Names & synonyms

2-Amino-5-fluorobenzoic acid446-08-25-Fluoroanthranilic acid5VD9746EARNSC-513308CHEBI:78042DTXSID601962315-FABA cpdRefChem:102648DTXCID70118722207-159-7MFCD00055566

Show more names

5-FAANSC 513308AURORA KA-5382BUTTPARK 19\04-54RARECHEM AL BO 22365-Fluoranthranilsure5-fluoroanthranilicaciZavegepant Impurity 742-Amino-5-fluorobenzoic

BENZOIC ACID, 2-AMINO-5-FLUORO-2-amino-5-fluoro-benzoic acid5-FLUORO-2-AMINOBENZOIC ACIDCHEMBL45856422-Amino-5-fluorobenzoicacid4own5RGEINECS 207-159-7

Database identifiers

CAS: 446-08-2
PubChem CID: 101412
DTXSID: DTXSID60196231
ChEMBL: CHEMBL4585642
ChEBI: CHEBI:78042
UNII: 5VD9746EAR
EC Number: 207-159-7
Nikkaji: J196.138A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 181 · 181-183 °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: DMSO (Slightly), Methanol (Slightly)
pka: 1.86 · 1.86±0.10(Predicted)
form: Fine Crystalline Powder
color: Light yellow to light brown
BRN: 2803664 · 2803664
Major Application: peptide synthesis
InChI: InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=CC=C1N
CAS DataBase Reference: 446 · 446-08-2(CAS DataBase Reference)
FDA UNII: 5 VD9746EAR · 5VD9746EAR
UNSPSC Code: 12352106 · 12352106
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,T
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29224999 · 29224999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

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,T
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 · 2 items

UsesUsed in the synthesis of styrylquinazolinones which are potential anticancer agents.

Uses2-Amino-5-fluorobenzoic acid is used for the counterselection of TRP1, a commonly used genetic marker in the yeast Saccharoyces Cerevisiae. An antimetabolite for the tryptophan pathway in yeast, and is toxic by virtue of its antimetabolite conversion to 5-Fluorotryptophan. It can be used for the selection of tryptophan auxotroophs.

Upstream & downstream products

Upstream raw materials

Downstream products

2-AMINO-5-FLUOROACETOPHENONE 6-FLUOROQUINAZOLIN-4-ONE 6-fluoro-N-(4-fluorobenzyl)quinazolin-4-aMine 8-Bromo-6-fluoro-2-methyl-4H-benzo[d][1,3]oxazin-4-one 5-Fluoro-2-iodobenzoic acid 2-AMINO-5-FLUOROBENZOIC ACID ETHYL ESTER

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Additional notes

DefinitionChEBI: An aminobenzoic acid that is anthranilic acid in which the hydrogen at position 5 on the phenyl ring is replaced by fluorine.

Related reactions

84 records

New reaction record

HRID 19675As reactantuspto-grants-2010_06

HRID 42035As reactantuspto-grants-2013_09

HRID 95895As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149698As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167870As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169853As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 206313As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 238226As productuspto-grants-2014_02

Linked notes

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Basic information