Methyl 3-(4-chlorophenyl)-2-propenoate

HCID 98955

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Basic information

CAS: 7560-44-3
Standard SMILES: COC(=O)C=Cc1ccc(Cl)cc1
InChIKey: IIBXQGYKZKOORG-UHFFFAOYSA-N
Molecular formula: C10H9ClO2
Average molar mass: 196.63 g/mol
Monoisotopic mass: 196.02910721

Names & identifiers

Preferred name: Methyl 3-(4-chlorophenyl)-2-propenoate
IUPAC: methyl 3-(4-chlorophenyl)prop-2-enoate
English name: Methyl 4-chlorocinnamate
Molecular formula: C10H9ClO2
Molecular weight: 196.63

Names & synonyms

DTXSID701283872Methyl 3-(4-chlorophenyl)-2-propenoateRefChem:814880DTXCID501714358methyl 3-(4-chlorophenyl)prop-2-enoateMFCD000757903-(4-Chlorophenyl)-acrylic acid methyl ester3-(4-Chloro-phenyl)-acrylic acid methyl esterSCHEMBL198278IIBXQGYKZKOORG-UHFFFAOYSA-Np-chlorocinnamic acid methyl esterp-chlorocinnamic acid, methyl ester

Show more names

Methyl 4-Chlorociamate4-Chloromethyl cinnamatemethyl p-chlorocinnamateMethyl 4-chlorocinnamateMethyl 4-Chlorocinnamate >Methyl 3-(4-chlorophenyl)acrylate4-CHLOROCINNAMIC ACID METHYL ESTERMETHYL 4-CHLOROCINNAMATE USP/EP/BP(E)-Methyl 3-(4-chlorophenyl)acrylateMethyl (2E)-3-(4-chlorophenyl)acrylate

AKOS025243935SY022890DB-055969

Database identifiers

CAS: 7560-44-3
PubChem CID: 98955
DTXSID: DTXSID701283872

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 76 · 76-77°C
Boiling point: 292.8 · 292.8±15.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
form: powder to crystal
color: White to Almost white
BRN: 2045629 · 2045629
CAS DataBase Reference: 7560 · 7560-44-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37
HS Code: 29163990 · 29163990

Safety & regulation

Safety data

hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39-37
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a