4-Isopropoxybenzoic acid

Base Information Edit

Chemical Name:4-Isopropoxybenzoic acid
CAS No.:13205-46-4
Molecular Formula:C10H12O3
Molecular Weight:180.203
Hs Code.:29189900
European Community (EC) Number:236-169-4
NSC Number:16646
DSSTox Substance ID:DTXSID20157323
Nikkaji Number:J213.746A
Wikidata:Q72486135
ChEMBL ID:CHEMBL1490033
Mol file:13205-46-4.mol

Synonyms:4-Isopropoxybenzoic acid;13205-46-4;Benzoic acid, 4-(1-methylethoxy)-;4-propan-2-yloxybenzoic acid;4-(propan-2-yloxy)benzoic acid;4-Isopropoxy-benzoic acid;MLS000737808;4-isopropyloxybenzoic acid;EINECS 236-169-4;MFCD00044318;SMR000528168;AI3-12104;4-(1-methylethoxy)benzoic acid;p-Isopropoxybenzoesaure;Enamine_004238;4-isopropoxylbenzoic acid;4-iso-propoxybenzoic acid;cid_72972;SCHEMBL503642;4-Isopropoxybenzoic acid, 99%;CHEMBL1490033;BDBM63816;AMY3816;DTXSID20157323;HMS1406A14;CS-M0438;NSC16646;4-[(1-methylethyl)oxy]benzoic acid;BBL012037;NSC 16646;NSC-16646;STK397749;AKOS000109267;PS-6238;NCGC00246758-01;BB 0245719;FT-0618822;FT-0618841;I0432;EN300-17039;J-006113;Z56862736;F3146-0089

Suppliers and Price of 4-Isopropoxybenzoic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Isopropoxybenzoic Acid
500mg
$ 65.00

TRC
4-Isopropoxybenzoic Acid
1g
$ 75.00

TRC
4-Isopropoxybenzoic Acid
100mg
$ 45.00

TCI Chemical
4-Isopropoxybenzoic Acid >98.0%(GC)(T)
25g
$ 58.00

TCI Chemical
4-Isopropoxybenzoic Acid >98.0%(GC)(T)
5g
$ 20.00

SynQuest Laboratories
4-Isopropoxybenzoic acid
5 g
$ 21.00

SynQuest Laboratories
4-Isopropoxybenzoic acid
100 g
$ 199.00

SynQuest Laboratories
4-Isopropoxybenzoic acid
25 g
$ 66.00

Sigma-Aldrich
4-Isopropoxybenzoic acid 99%
5g
$ 29.80

Matrix Scientific
4-Isopropoxybenzoic acid
25g
$ 252.00

Total 0 raw suppliers

Chemical Property of 4-Isopropoxybenzoic acid Edit

Chemical Property:

Appearance/Colour:white to off-white powder
Vapor Pressure:0.00061mmHg at 25°C
Melting Point:164-167 °C(lit.)
Refractive Index:1.5160 (estimate)
Boiling Point:297.3 °C at 760 mmHg
PKA:pK1:4.68 (20°C)
Flash Point:115.6 °C
PSA：46.53000
Density:1.13g/cm³
LogP:2.17200
Storage Temp.:Store below +30°C.
Water Solubility.:Insoluble in water.
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Heavy Atom Count:13
Complexity:169

Purity/Quality:: 4-Isopropoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=CC=C(C=C1)C(=O)O
Uses 4-Isopropoxybenzoic acid is used to prepare 5-(4-isopropoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine by reacting with N-phenylhydrazinecarbothioamide in the presence of phosphorusoxychloride.

Technology Process of 4-Isopropoxybenzoic acid

There total 13 articles about 4-Isopropoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%