Catecholborane
Also known as 1,3,2-Benzodioxaborole, c6h5bo2
Key facts
What buyers check first
- CAS number
- 274-07-7
- Formula
- C6H5BO2
- Molar mass
- 119.92 g/mol
- EC number
- 205-991-5
- HS code
- 292090
- Category
- Aromatic building blocks
What is Catecholborane?
Plain description, key identifiers and synonyms
Catecholborane is a chemical substance with the molecular formula C6H5BO2 and a molar mass of 119.92 g/mol. Its CAS registry number is 274-07-7. The IUPAC name is 1,3,2-benzodioxaborole.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1,3,2-benzodioxaborole
- CAS number
- 274-07-7 CAS number cross-checked
- EC number
- 205-991-5
- Molecular formula
- C6H5BO2
- InChIKey
- CENMEJUYOOMFFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
- SMILES (canonical and isomeric)
- B1OC2=CC=CC=C2O1
Synonyms
- 1,3,2-Benzodioxaborole
- c6h5bo2
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 | 119.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 120.0383 Dacalc.Computed value |
| LogP (octanol/water) | 0.72calc.Computed value |
| Topological polar surface area | 18.46 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 9calc.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. This chemical is the scaffold itself.
57 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H225Highly flammable liquid and vapour.
- H314Causes severe skin burns and eye damage.
- H318Causes serious eye damage.
Precautionary statements (23)
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P233Keep container tightly closed.
- P240Ground and bond container and receiving equipment.
- P241Use explosion-proof electrical, ventilating and lighting equipment.
- P242Use non-sparking tools.
- P243Take action to prevent static discharges.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
- P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
- P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P363Wash contaminated clothing before reuse.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P403 + P235Store in a well-ventilated place. Keep cool.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidCatecholborane suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
- India, HyderabadUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
- China, ZhengzhouUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
- India, Bidar ManufacturerUnclaimed profileCatecholboraneGrade, purity and minimum order on requestPrice on request
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Catecholborane 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
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Catecholborane is traded under.
Esters, other than thiophosphoric esters (phosphorothioates) and phosphite esters and their saltsโฆ
- China33.4%
- Germany18.8%
- United States12.4%
- United States19.2%
- Singapore8.9%
- South Korea6.9%
The HS code shown for Catecholborane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Catecholborane, based on the data on this page
What is Catecholborane?
What is the CAS number of Catecholborane?
What is the molecular formula and weight of Catecholborane?
What is Catecholborane used for?
Is Catecholborane hazardous?
What is the HS code of Catecholborane?
Where can I buy Catecholborane?
Where can I buy Catecholborane in India?
What is the price of Catecholborane?
Guides for buyers
Practical guides that help when you source, ship or handle Catecholborane
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- 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
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