(1)-4-Fluorophenylglycine

HCID 98313

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Basic information

CAS: 7292-73-1
Standard SMILES: NC(C(=O)O)c1ccc(F)cc1
InChIKey: JKFYKCYQEWQPTM-UHFFFAOYSA-N
Molecular formula: C8H8FNO2
Average molar mass: 169.15 g/mol
Monoisotopic mass: 169.05390666

Names & identifiers

Preferred name: (1)-4-Fluorophenylglycine
IUPAC: 2-amino-2-(4-fluorophenyl)acetic acid
English name: 4-Fluorophenylglycine
Molecular formula: C8H8FNO2
Molecular weight: 169.16

Names & synonyms

(1)-4-FluorophenylglycineRefChem:10491467292-73-12-amino-2-(4-fluorophenyl)acetic acid4-Fluoro-DL-phenylglycine4-Fluoro-DL-alpha-phenylglycinedl-4-fluorophenylglycineMFCD00066444EINECS 230-724-4SCHEMBL162203amino(4-fluorophenyl)acetic acidAKOS000192684

Show more names

DL-4-FluorineDL-PHg(4-F)-OHh-dl-phg(4-f)-ohRARECHEM AK ML 05194-FLUOROPHENYLGLYCINEDL-4-Flurophenylglycine4-Fluoro-α-phenylglycine

AB02694SY004676CS-0128891EN300-137205BENZENEACETIC ACID, ALPHA-AMINO-4-FLUORO-10R-0039F2147-06442-(4-Fluorophenyl)glycine

Database identifiers

CAS: 7292-73-1
PubChem CID: 98313
DTXSID: DTXSID801373109
EC Number: 230-724-4
Nikkaji: J360.088B

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 300 °C · ≥300 °C(lit.)
Boiling point: 289.9 · 289.9±30.0 °C(Predicted)
Density: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.9 · 1.90±0.10(Predicted)
form: Powder
color: Pale yellow
BRN: 2804849 · 2804849
InChI: InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey: JKFYKCYQEWQPTM-UHFFFAOYSA-N
SMILES: C(C1C=CC(F)=CC=1)(N)C(=O)O
CAS DataBase Reference: 7292 · 7292-73-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-22
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29224999 · 29224999

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
hs_code: 29224999
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Hazard statements: H302-H315-H320-H335
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Applications

UsesL-4-Fluorophenylglycine (L-4FPG), an inhibitor of the neutral amino acid transporter ASCT1/2, has been shown to regulate extracellular D-serine levels.