3,5-Dicarboxyphenylboronic acid
Basic information
- CAS
881302-73-4- Standard SMILES
O=C(O)c1cc(B(O)O)cc(C(=O)O)c1- InChIKey
LCDXMCXNZRXUDH-UHFFFAOYSA-N- Molecular formula
- C8H7BO6
- Average molar mass
- 209.95 g/mol
- Monoisotopic mass
- 210.0335681
Names & identifiers
- Preferred name
- 3,5-Dicarboxyphenylboronic acid
- IUPAC
- 5-boronobenzene-1,3-dicarboxylic acid
- English name
- 3,5-Dicarboxybenzeneboronic acid
- Molecular formula
- C8H7BO6
- Molecular weight
- 209.95
Names & synonyms
3,5-Dicarboxyphenylboronic acidRefChem:486682686-016-45-boronoisophthalic acid881302-73-43,5-Dicarboxybenzeneboronic acid5-boronobenzene-1,3-dicarboxylic acidMFCD06203347C8H7BO65-boronoisophthalicacidSCHEMBL918608CS-W000999
Show more names
5-BoronoisophthaL3,5-Dicarboxybenzeneboronicacid98%3,5-Dicarboxybenzeneboronic acid 98%5-Borono-1,3-benzenedicarboxylic acid3,5-Dicarboxybenzeneboronic acid ISO 9001：2015 REACH
SY1041443,5-Dicarboxyphenylboronic Acid (contains varying amounts of Anhydride)T714271,3-Benzenedicarboxylic acid, 5-borono-FT-07504683,5-DicarboxyphenylboronicA842477orb3217298
Database identifiers
- CAS
881302-73-4- PubChem CID
- 44118570
- DTXSID
DTXSID10656890- EC Number
- 686-016-4
- Nikkaji
- J2.292.007C
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 590.7 · 590.7±60.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Solid:bulk
- pka
- 3.54 · 3.54±0.10(Predicted)
- color
- White to Almost white
- LogP
- 0.22 at · 0.22 at 21.12℃ and pH6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2931900090 · 2931900090
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3,5-DICARBOXYPHENYLBORONIC ACID (EC: 686-016-4)
Hazard Classes and CategoriesAcute Tox. 4 (92.7%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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