Cas no 5891-21-4 (5-chloropentan-2-one)
5-Chloropentan-2-one (CAS 5891-21-4) is a chlorinated ketone with the molecular formula C?H?ClO. This clear to pale yellow liquid is characterized by its reactive α-chloroketone functionality, making it a versatile intermediate in organic synthesis. It is particularly useful in nucleophilic substitution reactions, cyclizations, and as a precursor for heterocyclic compounds. The compound's moderate volatility and solubility in common organic solvents enhance its utility in laboratory and industrial applications. Its structural features enable efficient derivatization, supporting the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Proper handling is required due to its potential lachrymatory effects and reactivity with nucleophiles. Storage under inert conditions is recommended to maintain stability.
5-chloropentan-2-one structure
Product Name:5-chloropentan-2-one
CAS No:5891-21-4
MF:C5H9ClO
MW:120.577360868454
MDL:MFCD00001008
CID:46241
PubChem ID:79993
Update Time:2025-05-28
5-chloropentan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloropentan-2-one
- Chloropentanonetech
- 3-Acetylpropyl chloride
- 3-CHLOROPROPYL METHYL KETONE
- 3-ACETYL-1-CHLOROPROPANE
- ACETYLPROPYL CHLORIDE
- 1-CHLORO-4-PENTANONE
- METHYL 3-CHLOROPROPYL KETONE
- 5-Chloro-2-Pentanone
- 5-Chloro-2-pentanone (stabilized with K2CO3)
- 2-Pentanone,5-chloro
- 4-chloro-1-methyl-butan-1-one
- 4-oxo-pentylchloride
- 5-chloro-2-pentanon
- 3-Chloropropyl Methyl Ketone (stabilized with K2CO3)
- 2-Pentanone, 5-chloro-
- 2-Pentanone 5-chloro-
- 1-Chloro-4-oxopentane
- XVRIEWDDMODMGA-UHFFFAOYSA-N
- PubChem17207
- 5-chloro-pentan-2-one
- 5-chloranylpentan-2-one
- KSC272O3J
- XVRIEWDDMODMGA-UHFF
- V4XZG82VP5
- NSC-60210
- 5891-21-4
- XVRIEWDDMODMGA-UHFFFAOYSA-
- 5-Chloro-2-pentanone, technical grade, 85%
- CS-W013569
- NS00020849
- 5-Chloro-2-pentanone, stab. with potassium carbonate
- AS-11943
- InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
- NSC8427
- EINECS 227-565-8
- F0001-1541
- EN300-34643
- SCHEMBL724425
- D77754
- NSC 8427
- DTXSID9064053
- Q-200538
- AKOS000121103
- A832801
- NSC-8427
- NSC 60210
- AI3-08709
- MFCD00001008
- FT-0620282
- NSC60210
- BBL010617
- 1-Chloro-4-pentanone; 3-Chloropropyl Methyl Ketone; NSC 60210; NSC 8427
- DB-053284
- STK067503
- 5-chloropentan-2-one
-
- MDL： MFCD00001008
- Inchi： 1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
- InChI Key： XVRIEWDDMODMGA-UHFFFAOYSA-N
- SMILES： ClCCCC(C)=O
- BRN： 1098490
Computed Properties
- Exact Mass: 120.03400
- Monoisotopic Mass: 120.034193
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 61.1
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.8
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Not determined
- Density: 1.057?g/mL?at 25?°C(lit.)
- Melting Point: -48
- Boiling Point: 106°C/20mmHg(lit.)
- Flash Point: Degrees Fahrenheit:152.6°F
Degrees Celsius:67°C - Refractive Index: n20/D 1.438(lit.)
- Solubility: Soluble in chloroform and methanol.
- PSA: 17.07000
- LogP: 1.59440
- Solubility: Not determined
- Vapor Pressure: 1.3±0.3 mmHg at 25°C
5-chloropentan-2-one Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H226-H302
- Warning Statement： P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P370+P378-P403+P235-P501
- Hazardous Material transportation number：UN 1224 3/PG 3
- WGK Germany：3
- Hazard Category Code： R10;R22;R36/37/38
- Safety Instruction： S23-S24/25-S37/39-S26-S16
- FLUKA BRAND F CODES：8-10
- RTECS：SA8143500
-
Hazardous Material Identification：
- HazardClass：3
- PackingGroup：III
- TSCA：Yes
- Storage Condition：Inert atmosphere,2-8°C
- Packing Group：III
- Hazard Level：3
- Safety Term：3
- Packing Group：III
- Risk Phrases：R10; R22; R36/37/38
5-chloropentan-2-one Customs Data
- HS CODE：29147090
- 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%
5-chloropentan-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | C62603-25G |
5-chloropentan-2-one |
5891-21-4 | 85% | 25g |
￥416.2 | 2023-11-10 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | C62603-100G |
5-chloropentan-2-one |
5891-21-4 | 85% | 100g |
￥1465.33 | 2023-11-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C804934-500g |
5-Chloro-2-pentanone |
5891-21-4 | 96% | 500g |
416.00 | 2021-05-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014119-100g |
5-chloropentan-2-one |
5891-21-4 | 96% | 100g |
￥50 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014119-25g |
5-chloropentan-2-one |
5891-21-4 | 96% | 25g |
￥29 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014119-500g |
5-chloropentan-2-one |
5891-21-4 | 96% | 500g |
￥225 | 2024-05-22 | |
| TRC | C375090-10g |
5-Chloro-2-pentanone |
5891-21-4 | 10g |
$ 63.00 | 2023-09-08 | ||
| TRC | C375090-25 g |
5-Chloro-2-pentanone |
5891-21-4 | 25g |
$ 70.00 | 2022-01-10 | ||
| TRC | C375090-50 g |
5-Chloro-2-pentanone |
5891-21-4 | 50g |
$ 80.00 | 2022-01-10 | ||
| TRC | C375090-100 g |
5-Chloro-2-pentanone |
5891-21-4 | 100g |
$ 100.00 | 2022-01-10 |
5-chloropentan-2-one Suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:5891-21-4)5-氯-2-戊酮
Order Number:LE26721156
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:58
Price ($):discuss personally
Email:[email protected]
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
(CAS:5891-21-4)5-Chloro-2-pentanone
Order Number:sfd3131
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Email:[email protected]
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
(CAS:5891-21-4)
Order Number:SFD1809
Stock Status:
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:03
Price ($):
Email:[email protected]
5-chloropentan-2-one Related Literature
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Jean-Louis Clément,Jean-Pierre Finet,Claudine Fréjaville,Paul Tordo Org. Biomol. Chem. 2003 1 1591
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Jean-Louis Clément,Jean-Pierre Finet,Claudine Fréjaville,Paul Tordo Org. Biomol. Chem. 2003 1 1591
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Wannaporn Disadee,Somsak Ruchirawat Org. Biomol. Chem. 2021 19 8794
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Jesse R. Vanderveen,Jeremy Durelle,Philip G. Jessop Green Chem. 2014 16 1187
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5. Synthesis of single isomers (E or Z) of protected γ,δ-unsaturated ketones by the Horner-Wittig reactionChristopher A. Cornish,Stuart Warren J. Chem. Soc. Perkin Trans. 1 1985 2585
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