Methyl (E)-3-fluorocinnamate

HCID 13415099CAS 74325-03-4

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Basic information

Standard SMILES: COC(=O)/C=C/c1cccc(F)c1
InChIKey: FLDMXKIURVHYKV-AATRIKPKSA-N
Molecular formula: C10H9FO2
Average molar mass: 180.17 g/mol

Names & identifiers

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

Names & synonyms

74325-03-4methyl (e)-3-fluorocinnamateRefChem:812403813-380-5(e)-methyl 3-(3-fluorophenyl)acrylatemethyl (2E)-3-(3-fluorophenyl)prop-2-enoateMFCD07784271methyl (E)-3-(3-fluorophenyl)prop-2-enoatemethyl 3-(3-fluorophenyl)prop-2-enoateMethyl 3-fluorocinnamateMethyl 3-(3-fluorophenyl)acrylatemethyl trans-3-fluorocinnamate

Show more names

Methyl (E)-3-(3-fluorophenyl)acrylate-Methyl 3-(3-fluorophenyl)(E)-3-Fluorocinnamicacidmethylester4-[(3-fluorophenyl)methoxy]-2-methylbenzoate2-Propenoic acid, 3-(3-fluorophenyl)-, methyl ester, (2E)-Methyl (E)-3-(3-fluorophenyl)acrylate, Methyl (2E)-3-(3-fluorophenyl)prop-2-enoate

Methyl-(E)-3-fluorocinnamateSCHEMBL1431912SCHEMBL8697109SCHEMBL30098502FLDMXKIURVHYKV-AATRIKPKSA-NSBB089651AKOS006229949PS-6535

Database identifiers

CAS: 74325-03-4
PubChem CID: 13415099
EC Number: 813-380-5
Nikkaji: J2.595.072K、J955.568D

Properties

Computed structural properties

XLogP: 2.3
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: 201

Physicochemical properties

Boiling point: 133 · 133-134°C/17mm
Density: 1.165 · 1.165±0.06 g/cm3(Predicted)
Flash point: 110 ° · >110°
form: liquid
color: Clear
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 332 · H332-H315-H319-H226
Precautionary statements: 501 · P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P235
Hazard Codes: Xi
HS Code: 2916399090 · 2916399090

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07,GHS02
hazard_code: Xi
Hazard statements: H332-H315-H319-H226
Precautionary statements: P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P235