CAS 2475-81-2 Methyl 2-amino-4-fluorobenzoate (HCID 14075433)

Substructure search Find similar structures

Basic information

CAS: 2475-81-2
Standard SMILES: COC(=O)c1ccc(F)cc1N
InChIKey: UBFRSTYHLYPSND-UHFFFAOYSA-N
Molecular formula: C8H8FNO2
Average molar mass: 169.15 g/mol
Monoisotopic mass: 169.05390672

Names & identifiers

Preferred name: Methyl 2-amino-4-fluorobenzoate
IUPAC: methyl 2-amino-4-fluorobenzoate
English name: methyl 2-amino-4-fluorobenzoate
Molecular formula: C8H8FNO2
Molecular weight: 169.15

Names & synonyms

methyl 2-amino-4-fluorobenzoate2475-81-2DTXSID70555517RefChem:354046DTXCID50506300802-135-8Benzoic acid, 2-amino-4-fluoro-, methyl esterMFCD11054082methyl 4-fluoroanthranilate2-Amino-4-fluoro-benzoic acid methyl ester2-amino-4-fluorobenzoic acid methyl esterSCHEMBL1035480

Show more names

Methyl2-amino-4-fluorobenzoate,98%

AKOS005260316CS-11130EN300-42148FT-0720321A856717methyl 2-amino-4-fluoro-benzoateUBFRSTYHLYPSND-UHFFFAOYSA-NCS-W001513

Database identifiers

CAS: 2475-81-2
PubChem CID: 14075433
DTXSID: DTXSID70555517
EC Number: 802-135-8

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 67 · 67-68 °C
Boiling point: 255.5 · 255.5±20.0 °C(Predicted)
Density: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.45 · 1.45±0.10(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2916310090 · 2916310090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2916310090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362