3-Bromohexan-2-one
Also known as 2-Hexanone, 3-bromo-
Key facts
What buyers check first
- CAS number
- 29584-99-4
- Formula
- C6H11BrO
- Molar mass
- 179.06 g/mol
- EC number
- 684-177-5
- HS code
- 291479
- Category
- Aldehydes and ketones
What is 3-Bromohexan-2-one?
Plain description, key identifiers and synonyms
3-Bromohexan-2-one is a chemical substance with the molecular formula C6H11BrO and a molar mass of 179.06 g/mol. Its CAS registry number is 29584-99-4.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-bromohexan-2-one
- CAS number
- 29584-99-4 CAS number cross-checked
- EC number
- 684-177-5
- Molecular formula
- C6H11BrO
- InChIKey
- OEQXOJMOWATNQN-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H11BrO/c1-3-4-6(7)5(2)8/h6H,3-4H2,1-2H3
- SMILES (canonical and isomeric)
- CCCC(C(=O)C)Br
Synonyms
- 2-Hexanone, 3-bromo-
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 | 179.06 g/molcalc.Computed value |
|---|---|
| Exact mass | 177.9993 Dacalc.Computed value |
| LogP (octanol/water) | 2.14calc.Computed value |
| Topological polar surface area | 17.07 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 8calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.83calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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 aid3-Bromohexan-2-one suppliers
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3-Bromohexan-2-one 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 3-Bromohexan-2-one is traded under.
Halogenated, sulphonated, nitrated or nitrosated derivatives, other
- United States29.1%
- Italy9.9%
- Switzerland * partner reported8.8%
* Partner reported figures, a lower bound.
The HS code shown for 3-Bromohexan-2-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 3-Bromohexan-2-one, based on the data on this page
What is 3-Bromohexan-2-one?
What is the CAS number of 3-Bromohexan-2-one?
What is the molecular formula and weight of 3-Bromohexan-2-one?
What is 3-Bromohexan-2-one used for?
Is 3-Bromohexan-2-one hazardous?
What is the HS code of 3-Bromohexan-2-one?
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What is the price of 3-Bromohexan-2-one?
Guides for buyers
Practical guides that help when you source, ship or handle 3-Bromohexan-2-one
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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