Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(Br)cc1- InChIKey
MFKOGXVHZUSUAF-QPJJXVBHSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
Names & identifiers
- Preferred name
- Methyl 4-bromocinnamate
- IUPAC
- methyl (E)-3-(4-bromophenyl)prop-2-enoate
- English name
- Methyl (E)-3-(4-bromophenyl)acrylate
- Molecular formula
- C10H9BrO2
- Molecular weight
- 241.08
Names & synonyms
3650-78-0Methyl 4-bromocinnamateRefChem:816296660-367-3methyl 3-(4-bromophenyl)acrylate71205-17-9Methyl trans-4-bromocinnamateMETHYL (E)-3-(4-BROMOPHENYL)ACRYLATE(E)-METHYL 3-(4-BROMOPHENYL)ACRYLATEmethyl (2E)-3-(4-bromophenyl)prop-2-enoateMFCD00157162methyl (E)-3-(4-bromophenyl)prop-2-enoate
Show more names
Methyl 3-(4-bromophenyl)Methyl 3-(4-bromophenyl)-2-propenoate3-(4-bromophenyl)-2-Propenoic acid methyl ester2-Propenoic acid, 3-(4-broMophenyl)-, Methyl ester
methyl 3-(4-bromophenyl)prop-2-enoatee-methyl-p-bromocinnamateMethyltrans-4-bromocinnamateSCHEMBL403042MFKOGXVHZUSUAF-QPJJXVBHSA-N2-Propenoic acid, 3-(4-bromophenyl)-, methyl ester, (2E)-HMS1367C17WCA20517
Database identifiers
- CAS
3650-78-0- PubChem CID
- 816774
- EC Number
- 660-367-3
- Nikkaji
- J1.231.762J、J1.423.610D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 84 · 84-86°C
- Boiling point
- 311.4 · 311.4±17.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
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Related reactions
13 records
Linked notes
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