methyl (2E)-3-(4-fluorophenyl)prop-2-enoate

HCID 958751

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Basic information

CAS: 100891-10-9
Standard SMILES: COC(=O)/C=C/c1ccc(F)cc1
InChIKey: HSNCAEKOZRUMTB-QPJJXVBHSA-N
Molecular formula: C10H9FO2
Average molar mass: 180.17 g/mol

Names & identifiers

Preferred name: methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
IUPAC: methyl (E)-3-(4-fluorophenyl)prop-2-enoate
English name: (E)-Methyl-3-(4-fluorophenyl)acrylate
Molecular formula: C10H9FO2
Molecular weight: 180.18

Names & synonyms

100891-10-9methyl (2E)-3-(4-fluorophenyl)prop-2-enoateRefChem:811968961-985-996426-60-7methyl 4-fluorocinnamate(E)-METHYL 3-(4-FLUOROPHENYL)ACRYLATEMethyl 3-(4-Fluorophenyl)AcrylateMethyl 4-fluorocinnamate, predominantly transmethyl (E)-3-(4-fluorophenyl)prop-2-enoateMFCD002970112-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester, (2E)-

Show more names

(E)-Methyl-3-(4-fluorophenyl)acrylate3-(4-fluorophenyl)acrylic acid methyl ester(E)-3-(4-fluorophenyl)acrylic acid methyl ester3-(4-fluorophenyl)prop-2-enoic acid methyl ester(E)-3-(4-fluorophenyl)prop-2-enoic acid methyl ester

Methyl 3-(4-fluorophenyl)prop-2-enoateMethyl (E)-3-(4-fluorophenyl)acrylateMETHYL-3-(4-FLUOROPHENYL)ACRYLATECHEMBL16697113-(4-Fluorophenyl)-2-propenoic acid methyl estermethyl (2E)-3-(4-fluorophenyl)-2-propenoateMethyl (2E)-3-(4-fluorophenyl)acrylatemethyl p-fluorocinnamate

Database identifiers

CAS: 100891-10-9
PubChem CID: 958751
ChEMBL: CHEMBL1669711
EC Number: 961-985-9
Nikkaji: J592.286K、J775.416G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 45 · 45-47 °C
Boiling point: 130 · 130-133 °C(Press: 15 Torr)
Density: 1.165 · 1.165±0.06 g/cm3(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.