CAS 351-95-1 (4-Fluoroanilino)acetic acid (HCID 1133296)

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Basic information

CAS: 351-95-1
Standard SMILES: O=C(O)CNc1ccc(F)cc1
InChIKey: ZFIMCCCQJDZLCT-UHFFFAOYSA-N
Molecular formula: C8H8FNO2
Average molar mass: 169.15 g/mol
Monoisotopic mass: 169.05390672

Names & identifiers

Preferred name: (4-Fluoroanilino)acetic acid
IUPAC: 2-(4-fluoroanilino)acetic acid
English name: (4-FLUORO-PHENYLAMINO)-ACETIC ACID
Molecular formula: C8H8FNO2
Molecular weight: 169.15

Names & synonyms

(4-fluoroanilino)acetic acidRefChem:402841662-028-5351-95-12-((4-Fluorophenyl)amino)acetic acidN-(4-fluorophenyl)glycine(4-Fluoro-phenylamino)-acetic acid2-(4-fluoroanilino)acetic acidMFCD022556292-[(4-fluorophenyl)amino]acetic Acid4-fluorophenyglycine2-((4-Fluorophenyl)amino)aceticacid

Show more names

N-(p-Fluorophenyl)glycine2-(4-fluoroanilino)aceticaciN-(4-Fluorophenyl)glycine>2-(4-fluoroanilino)acetic acid2-[(4-fluorophenyl)amino]ethanoic acid(4-Fluoroanilino)acetic acid - [F89843]N-(4-fluorophenyl)glycine(SALTDATA: FREE)

SCHEMBL186867Glycine, N-(4-fluorophenyl)-DTXSID60360672CS1182CS-0118637(4-fluorophenylamino)acetic acidAM82675A874724

Database identifiers

CAS: 351-95-1
PubChem CID: 1133296
DTXSID: DTXSID60360672
EC Number: 662-028-5
Nikkaji: J2.269.963F

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 138 °C · 138°C(lit.)
Boiling point: 355.9 · 355.9±27.0 °C(Predicted)
Density: 1.361 · 1.361
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.58 · 4.58±0.20(Predicted)
color: White to Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2922.49 · 2922.49.4950

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.