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4-Butoxybenzoyl chloride - 99%, high purity , CAS No.33863-86-4

COA

Grade & Purity:

≥99%

Cas Number: 33863-86-4
Molecular Weight: 212.67
PubChem CID: 118561

In stock

Item Number

B169692

Grouped product items
SKU	Size	Availability	Price
B169692-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$140.90
B169692-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$632.90
B169692-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,277.90

Basic Description

Synonyms	4-Butoxybenzoyl chloride \| 33863-86-4 \| 4-n-butoxybenzoyl chloride \| 4-n-Butoxybenzoylchloride \| Benzoyl chloride, 4-butoxy- \| p-Butoxybenzoyl chloride \| 4-Butoxy-benzoyl chloride \| 3K3Z5A9NPP \| EINECS 251-703-6 \| p-butoxybenzoylchloride \| UNII-3K3Z5A9NPP \| 4-butyloxy benzoyl
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids and derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-butoxybenzoyl chloride
INCHI	InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChIKey	KMGCTFHTBKBITO-UHFFFAOYSA-N
Smiles	CCCCOC1=CC=C(C=C1)C(=O)Cl
Isomeric SMILES	CCCCOC1=CC=C(C=C1)C(=O)Cl
WGK Germany	3
Molecular Weight	212.67
Reaxy-Rn	957203
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957203&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L1826080	Certificate of Analysis	Aug 19, 2024	B169692
F2420027	Certificate of Analysis	Aug 15, 2022	B169692
L1826079	Certificate of Analysis	Aug 15, 2022	B169692

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Molecular Weight	212.670 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	212.06 Da
Monoisotopic Mass	212.06 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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