Cas no 50870-61-6 (2-bromocyclohex-2-en-1-one)
2-Bromocyclohex-2-en-1-one is a brominated cyclic enone compound with significant utility in organic synthesis. Its α,β-unsaturated carbonyl structure and reactive bromine substituent make it a versatile intermediate for nucleophilic substitution, cross-coupling reactions, and cycloadditions. The compound is particularly valuable in the synthesis of complex heterocycles and functionalized cyclohexenone derivatives. Its electrophilic nature allows for selective modifications, enabling the construction of pharmacologically relevant scaffolds. The stability of the cyclohexenone core, combined with the leaving group capability of the bromine atom, enhances its applicability in multi-step synthetic routes. This compound is commonly employed in medicinal chemistry and materials science research due to its predictable reactivity and compatibility with diverse reaction conditions.
2-bromocyclohex-2-en-1-one structure
Product Name:2-bromocyclohex-2-en-1-one
CAS No:50870-61-6
MF:C6H7BrO
MW:175.023181200027
MDL:MFCD11109363
CID:363887
PubChem ID:10965037
Update Time:2025-05-28
2-bromocyclohex-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 2-bromo-
- 2-bromo-2-Cyclohexen-1-one
- 2-Bromocyclohex-2-en-1-one
- 2-bromo-2-cyclohexenone
- 2-bromo-cyclohex-2-en-1-one
- 2-Bromocyclohex-2-enone
- 2-bromo-cyclohexene-2-one
- 2-Cyclohexen-1-one,2-bromo
- KYNHSQQWQIIFTG-UHFFFAOYSA
- DTXSID10450017
- InChI=1/C6H7BrO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
- 2-Bromo-2-cyclohexenone, 17
- 2-bromocyclohexenone
- SCHEMBL5689030
- EN300-99960
- starbld0000350
- BS-28612
- 2-Bromocyclohex-2-enone 97%
- AKOS006305843
- J-508512
- KYNHSQQWQIIFTG-UHFFFAOYSA-N
- BDBM217390
- KYNHSQQWQIIFTG-UHFFFAOYSA-
- 50870-61-6
- FT-0685497
- CS-0205484
- MFCD11109363
- DB-071271
- 2-bromocyclohex-2-en-1-one
-
- MDL： MFCD11109363
- Inchi： 1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
- InChI Key： KYNHSQQWQIIFTG-UHFFFAOYSA-N
- SMILES： BrC1=CCCCC1=O
Computed Properties
- Exact Mass: 173.96800
- Monoisotopic Mass: 173.96803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.612
- Boiling Point: 235.167°C at 760 mmHg
- Flash Point: 108.055°C
- Refractive Index: 1.561
- PSA: 17.07000
- LogP: 2.01820
2-bromocyclohex-2-en-1-one Customs Data
- HS CODE：2914700090
- Customs Data：
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
2-bromocyclohex-2-en-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 218849-1g |
2-Bromocyclohex-2-enone |
50870-61-6 | 95% | 1g |
￡150.00 | 2022-03-01 | |
| Fluorochem | 218849-5g |
2-Bromocyclohex-2-enone |
50870-61-6 | 95% | 5g |
￡476.00 | 2022-03-01 | |
| Fluorochem | 218849-10g |
2-Bromocyclohex-2-enone |
50870-61-6 | 95% | 10g |
￡750.00 | 2022-03-01 | |
| Chemenu | CM328453-10g |
2-bromocyclohex-2-en-1-one |
50870-61-6 | 95%+ | 10g |
$1380 | 2021-08-18 | |
| TRC | B682948-100mg |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B682948-250mg |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 250mg |
$ 98.00 | 2023-04-18 | ||
| TRC | B682948-500mg |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 500mg |
$ 150.00 | 2023-04-18 | ||
| TRC | B682948-1g |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 1g |
$ 207.00 | 2023-04-18 | ||
| Apollo Scientific | OR960465-1g |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 97% | 1g |
￡150.00 | 2023-09-02 | |
| Apollo Scientific | OR960465-5g |
2-Bromocyclohex-2-en-1-one |
50870-61-6 | 97% | 5g |
￡470.00 | 2023-09-02 |
2-bromocyclohex-2-en-1-one Related Literature
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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