alpha,beta-Dibromocinnamic acid
Also known as Dibromzimtsaure, 2-Propenoicacid, 2,3-dibromo-3-phenyl-, (2E)-, alpha,beta-dibromo-cinnamic acid
Key facts
What buyers check first
- Formula
- C9H6Br2O2
- Molar mass
- 305.95 g/mol
- EC number
- 636-399-9
- HS code
- 291639
- Category
- Aromatic building blocks
What is alpha,beta-Dibromocinnamic acid?
Plain description, key identifiers and synonyms
alpha,beta-Dibromocinnamic acid is a chemical substance with the molecular formula C9H6Br2O2 and a molar mass of 305.95 g/mol. The IUPAC name is 2,3-dibromo-3-phenylprop-2-enoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2,3-dibromo-3-phenylprop-2-enoic acid
- EC number
- 636-399-9
- Molecular formula
- C9H6Br2O2
- InChIKey
- YCUQJKHDFXAMBE-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H6Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5H,(H,12,13)
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)C(=C(C(=O)O)Br)Br
Synonyms
- Dibromzimtsaure
- 2-Propenoicacid, 2,3-dibromo-3-phenyl-, (2E)-
- alpha,beta-dibromo-cinnamic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 305.95 g/molcalc.Computed value |
|---|---|
| Exact mass | 303.8735 Dacalc.Computed value |
| LogP (octanol/water) | 3.23calc.Computed value |
| Topological polar surface area | 37.3 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 13calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H314Causes severe skin burns and eye damage.
Precautionary statements (12)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
- P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P363Wash contaminated clothing before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidalpha,beta-Dibromocinnamic acid suppliers
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alpha,beta-Dibromocinnamic acid price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code alpha,beta-Dibromocinnamic acid is traded under.
Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids andโฆ
- India * partner reported14.5%
- United States12.2%
- Germany8.6%
* Partner reported figures, a lower bound.
The HS code shown for alpha,beta-Dibromocinnamic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about alpha,beta-Dibromocinnamic acid, based on the data on this page
What is alpha,beta-Dibromocinnamic acid?
What is the molecular formula and weight of alpha,beta-Dibromocinnamic acid?
What is alpha,beta-Dibromocinnamic acid used for?
Is alpha,beta-Dibromocinnamic acid hazardous?
What is the HS code of alpha,beta-Dibromocinnamic acid?
Where can I buy alpha,beta-Dibromocinnamic acid?
What is the price of alpha,beta-Dibromocinnamic acid?
Guides for buyers
Practical guides that help when you source, ship or handle alpha,beta-Dibromocinnamic acid
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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