CAS 87411-27-6 4-(3-Fluorophenoxy)butanoic acid (HCID 6486015)

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Basic information

CAS: 87411-27-6
Standard SMILES: O=C(O)CCCOc1cccc(F)c1
InChIKey: IWYAMFRULTXSGV-UHFFFAOYSA-N
Molecular formula: C10H11FO3
Average molar mass: 198.19 g/mol
Monoisotopic mass: 198.06922243

Names & identifiers

Preferred name: 4-(3-Fluorophenoxy)butanoic acid
IUPAC: 4-(3-fluorophenoxy)butanoic acid
English name: 4-(3-FLUORO-PHENOXY)-BUTYRIC ACID
Molecular formula: C10H11FO3
Molecular weight: 198.19

Names & synonyms

4-(3-fluorophenoxy)butanoic acid87411-27-6DTXSID40424549RefChem:513249DTXCID20375383107-238-5Butanoic acid, 4-(3-fluorophenoxy)-4-(3-Fluoro-phenoxy)-butyric acid3-(3-fluorophenoxy)propanecarboxylic acidSCHEMBL31751994-(3-Fluorophenoxy)butyric acidIWYAMFRULTXSGV-UHFFFAOYSA-N

Show more names

AKOS B030636TIMTEC-BB SBB010970

MDA41127MFCD08056140SBB010970STK317923AKOS000103528DB-137236CS-0250664ST50342011

Database identifiers

CAS: 87411-27-6
PubChem CID: 6486015
DTXSID: DTXSID40424549
EC Number: 107-238-5

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 184

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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