Ethyl trans-4-Bromocinnamate

HCID 688115

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Basic information

CAS: 24393-53-1
Standard SMILES: CCOC(=O)/C=C/c1ccc(Br)cc1
InChIKey: YOOKYIPLSLPRTC-VMPITWQZSA-N
Molecular formula: C11H11BrO2
Average molar mass: 255.11 g/mol

Names & identifiers

Preferred name: Ethyl trans-4-Bromocinnamate
IUPAC: ethyl (E)-3-(4-bromophenyl)prop-2-enoate
English name: Ethyl trans-4-bromocinnamate
Molecular formula: C11H11BrO2
Molecular weight: 255.11

Names & synonyms

Ethyl trans-4-bromocinnamate2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester, (2E)-RefChem:596424628-225-524393-53-1(E)-Ethyl 3-(4-bromophenyl)acrylateEthyl 3-(4-bromophenyl)acrylateethyl (E)-3-(4-bromophenyl)acrylateethyl (E)-3-(4-bromophenyl)prop-2-enoateMFCD00012226Ethyl-3-(4-bromophenyl)acrylate2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester

Show more names

ETHYL 4-BROMOCINNAMATE-Ethyl 3-(4-bromophenyl)Ethyl trans-4-bromociamateEthyl 4-bromocinnamate, 98 %4-Bromocinnamic acid ethyl esterEthyl trans-4-bromocinnamate 98%

ethyl (2E)-3-(4-bromophenyl)prop-2-enoateEthyl 3-(4-bromophenyl)-2-propenoateethyl (2E)-3-(4-bromophenyl)acrylateethyl p-bromocinnamateNSC636702NSC 636702ethyl (E)-4-bromocinnamateethyl-trans-4-bromocinnamate

Database identifiers

CAS: 24393-53-1
PubChem CID: 688115
ChEMBL: CHEMBL4877242
EC Number: 628-225-5
Nikkaji: J2.183.748B、J267.223E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Physicochemical properties

Boiling point: 180 °C/18 · 180 °C/18 mmHg (lit.)
Density: 1.359 g/mL · 1.359 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.596(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKey: YOOKYIPLSLPRTC-VMPITWQZSA-N
SMILES: CCOC(=O)\C=C\c1ccc(Br)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29163990 · 29163990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.