Cas no 123843-54-9 (Benzoic acid,4-butoxy-2-fluoro-)

Benzoic acid, 4-butoxy-2-fluoro-, is a fluorinated aromatic carboxylic acid derivative characterized by the presence of a butoxy substituent at the para position and a fluorine atom at the ortho position relative to the carboxyl group. This structural configuration imparts unique physicochemical properties, including enhanced lipophilicity and potential reactivity modulation, making it valuable in synthetic organic chemistry and pharmaceutical intermediate applications. The fluorine atom may influence electronic effects and metabolic stability, while the butoxy chain can improve solubility in nonpolar matrices. Its precise functionalization offers versatility in fine chemical synthesis, particularly in the development of specialized agrochemicals or bioactive molecules requiring tailored steric and electronic profiles.

Benzoic acid,4-butoxy-2-fluoro- structure

123843-54-9 structure

Product Name:Benzoic acid,4-butoxy-2-fluoro-

CAS No:123843-54-9

MF:C₁₁H₁₃FO₃

MW:212.217527151108

CID:103985

PubChem ID:2773434

Update Time:2025-05-28

Benzoic acid,4-butoxy-2-fluoro- Chemical and Physical Properties

Names and Identifiers

- Benzoic acid,4-butoxy-2-fluoro-
- 4-Butoxy-2-fluorobenzoic acid
- SCHEMBL7825340
- DTXSID40378457
- 123843-54-9
- AKOS025117109
- MFCD00143273
- 4-(n-butyloxy)-2-fluorobenzoic acid
- FDDUDQLEOGNYIT-UHFFFAOYSA-N
- 2-fluoro-4-butyloxybenzoic acid
- Benzoic acid, 4-butoxy-2-fluoro-
- Inchi： 1S/C11H13FO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
- InChI Key： FDDUDQLEOGNYIT-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)O)C=CC(=C1)OCCCC

Computed Properties

Exact Mass: 212.08489
Monoisotopic Mass: 212.08487243g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 15
Rotatable Bond Count: 5
Complexity: 208
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: nothing
XLogP3: nothing
Topological Polar Surface Area: 46.5?2

Experimental Properties

PSA: 46.53

Benzoic acid,4-butoxy-2-fluoro- Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1944771-1g	4-Butoxy-2-fluorobenzoic acid	123843-54-9	98%	1g	￥3145.00	2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1944771-5g	4-Butoxy-2-fluorobenzoic acid	123843-54-9	98%	5g	￥9435.00	2024-08-09
Aaron	AR000LUW-1g	Benzoic acid, 4-butoxy-2-fluoro-	123843-54-9	95%	1g	$238.00	2025-02-12
Aaron	AR000LUW-5g	Benzoic acid, 4-butoxy-2-fluoro-	123843-54-9	95%	5g	$713.00	2025-02-12