Phytex
Also known as 1,3,2-Benzodioxaborole-5-carboxylic acid, 2,7-dihydroxy-, 2,7-Dihydroxybenzo[d][1,3,2]dioxaborole-5-carboxylic acid, 3,4,5-Borylidinetrioxybenzoic acid
Key facts
What buyers check first
- CAS number
- 78456-98-1
- Formula
- C7H5BO6
- Molar mass
- 195.92 g/mol
- HS code
- 292090
- Category
- Aromatic building blocks
What is Phytex?
Plain description, key identifiers and synonyms
Phytex is a chemical substance with the molecular formula C7H5BO6 and a molar mass of 195.92 g/mol. Its CAS registry number is 78456-98-1. The IUPAC name is 2,4-dihydroxy-1,3,2-benzodioxaborole-6-carboxylic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2,4-dihydroxy-1,3,2-benzodioxaborole-6-carboxylic acid
- CAS number
- 78456-98-1 CAS number cross-checked
- Molecular formula
- C7H5BO6
- InChIKey
- UXUWCOMXIABBJS-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H5BO6/c9-4-1-3(7(10)11)2-5-6(4)14-8(12)13-5/h1-2,9,12H,(H,10,11)
- SMILES (canonical and isomeric)
- B1(OC2=CC(=CC(=C2O1)O)C(=O)O)O
Synonyms
- 1,3,2-Benzodioxaborole-5-carboxylic acid, 2,7-dihydroxy-
- 2,7-Dihydroxybenzo[d][1,3,2]dioxaborole-5-carboxylic acid
- 3,4,5-Borylidinetrioxybenzoic acid
- 3,4,5-Trihydroxybenzoic acid boric acid ester
- 2,7-Dihydroxy-2H-1,3,2-benzodioxaborole-5-carboxylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 195.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 196.0179 Dacalc.Computed value |
| LogP (octanol/water) | -0.16calc.Computed value |
| Topological polar surface area | 96.22 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 14calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
B1Oc2ccccc2O1
2 rings, 9 atoms, the Catecholborane ring system.
57 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Phytex suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Phytex can send you quotes. Your contact details stay private until you accept a quote.
Phytex price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Phytex is traded under.
Esters, other than thiophosphoric esters (phosphorothioates) and phosphite esters and their salts…
- China33.4%
- Germany18.8%
- United States12.4%
- United States19.2%
- Singapore8.9%
- South Korea6.9%
The HS code shown for Phytex is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Phytex, based on the data on this page
What is Phytex?
What is the CAS number of Phytex?
What is the molecular formula and weight of Phytex?
What is Phytex used for?
Is Phytex hazardous?
What is the HS code of Phytex?
Where can I buy Phytex?
What is the price of Phytex?
Guides for buyers
Practical guides that help when you source, ship or handle Phytex
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Phytex
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Phytex with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/phytex-78456-98-1" title="Phytex structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Aromatic building blocks or HS code 292090