Cas no 50606-95-6 (4-hexylbenzoyl chloride)
4-Hexylbenzoyl chloride is a specialized organic compound with the molecular formula C??H??ClO, featuring a hexyl substituent on the benzene ring adjacent to a reactive benzoyl chloride group. This structure makes it a valuable intermediate in organic synthesis, particularly for introducing the 4-hexylbenzoyl moiety into target molecules. Its high reactivity toward nucleophiles, such as alcohols and amines, enables efficient acylation reactions, yielding esters or amides with enhanced lipophilicity due to the hexyl chain. The compound is commonly used in pharmaceuticals, agrochemicals, and material science, where controlled functionalization is required. Proper handling under anhydrous conditions is essential due to its moisture sensitivity.
4-hexylbenzoyl chloride structure
Product Name:4-hexylbenzoyl chloride
CAS No:50606-95-6
MF:C13H17ClO
MW:224.726483106613
MDL:MFCD00000701
CID:89580
PubChem ID:24853311
Update Time:2025-05-20
4-hexylbenzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 4-hexylbenzoyl chloride
- 4-n-Hexylbenzoyl chloride
- p-Hexylbenzoyl Chloride
- para-n-hexyl benzoic acid chloride
- MFCD00000701
- DTXSID7068558
- NS00032092
- 4-hexylbenzoyl chloride (en)
- SCHEMBL1020543
- 4-hexylbenzoylchloride
- 50606-95-6
- Benzoyl chloride, 4-hexyl-
- 4-Hexylbenzoyl chloride, 98%
- AKOS002685611
- AS-77206
- FT-0618590
- EINECS 256-647-6
- 4-n-Hexylbenzoylchloride
- DB-051800
- DTXCID6040870
-
- MDL： MFCD00000701
- Inchi： 1S/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3
- InChI Key： XRAHLPNMIIAEPP-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)CCCCCC)=O
- BRN： 2208938
Computed Properties
- Exact Mass: 224.09700
- Monoisotopic Mass: 224.097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- 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: nothing
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Color/Form: liquid
- Density: 1.029?g/mL?at 25?°C(lit.)
- Boiling Point: 176-177°C 22mm
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.5256(lit.)
- PSA: 17.07000
- LogP: 4.18840
- Solubility: React with water
- Sensitiveness: Moisture Sensitive
4-hexylbenzoyl chloride Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H314
- Warning Statement： P280-P305+P351+P338-P310
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： S26-S36/37/39-S45
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：II
- TSCA：Yes
- Risk Phrases：R34
- Packing Group：II
- Safety Term：8
- Packing Group：II
- Hazard Level：8
4-hexylbenzoyl chloride Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-hexylbenzoyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H170646-100g |
4-Hexylbenzoyl chloride |
50606-95-6 | 98% | 100g |
￥4,219.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H170646-25g |
4-Hexylbenzoyl chloride |
50606-95-6 | 98% | 25g |
￥1,499.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H170646-5g |
4-hexylbenzoyl chloride |
50606-95-6 | 98% | 5g |
￥599.90 | 2023-09-02 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 222097-5G |
4-hexylbenzoyl chloride |
50606-95-6 | 5g |
￥884.94 | 2023-12-09 | ||
| abcr | AB125828-5 g |
4-n-Hexylbenzoyl chloride, 98%; . |
50606-95-6 | 98% | 5 g |
€84.90 | 2023-07-20 | |
| abcr | AB125828-25 g |
4-n-Hexylbenzoyl chloride, 98%; . |
50606-95-6 | 98% | 25 g |
€211.00 | 2023-07-20 | |
| abcr | AB125828-100 g |
4-n-Hexylbenzoyl chloride, 98%; . |
50606-95-6 | 98% | 100 g |
€783.00 | 2023-07-20 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15659-5g |
4-n-Hexylbenzoyl chloride, 98% |
50606-95-6 | 98% | 5g |
￥561.00 | 2023-02-15 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15659-25g |
4-n-Hexylbenzoyl chloride, 98% |
50606-95-6 | 98% | 25g |
￥1816.00 | 2023-02-15 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15659-100g |
4-n-Hexylbenzoyl chloride, 98% |
50606-95-6 | 98% | 100g |
￥6813.00 | 2023-02-15 |
4-hexylbenzoyl chloride Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:50606-95-6)4-hexylbenzoyl chloride
Order Number:A1210346
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:59
Price ($):483.0
Email:[email protected]
4-hexylbenzoyl chloride Related Literature
-
Joseph A. Paquette,Amir Rabiee Kenaree,Joe B. Gilroy Polym. Chem. 2017 8 2164
-
2. Efficient and selective up-hill transport of anions by pH-induced affinity switching of a copper complex carrierKoji Araki,Sung-Kil Lee,Joe Otsuki J. Chem. Soc. Dalton Trans. 1996 1367
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:50606-95-6)4-hexylbenzoyl chloride
Purity:99%
Quantity:100g
Price ($):483.0