2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)
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Basic information
- CAS
313545-44-7- Standard SMILES
CCOc1ccc(B(O)O)c(Cl)c1- InChIKey
GMFQJZUNQAJZDH-UHFFFAOYSA-N- Molecular formula
- C8H10BClO3
- Average molar mass
- 200.43 g/mol
- Monoisotopic mass
- 200.04115226
Names & identifiers
- Preferred name
- 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- (2-chloro-4-ethoxyphenyl)boronic acid
- English name
- 2-CHLORO-4-ETHOXYPHENYLBORONIC ACID
- Molecular formula
- C8H10BClO3
- Molecular weight
- 200.43
Names & synonyms
2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)RefChem:468948834-705-72-Chloro-4-ethoxyphenylboronic acid313545-44-7(2-chloro-4-ethoxyphenyl)boronic acidMFCD026843182-Chloro-4-ethoxypheylboronic acid2-CHLORO-4-ETHOXYBENZENEBORONIC ACIDBoronic acid, (2-chloro-4-ethoxyphenyl)-(2-CHLORO-4-ETHOXY)PHENYLBORONIC ACID2-CHLORO-4-ETHOXYPHENYLBORONICACID
Show more names
AKOS BRN-0595oro-4-ethoxyphenyL4-Borono-3-chlorophenethole(2-chloro-4-ethoxyphenyl)boranediolBoronic acid, B-(2-chloro-4-ethoxyphenyl)-2-Chloro-4-ethoxyphenylboronic acid - [C2194]
SCHEMBL2322205SCHEMBL29957289DTXSID70393456GMFQJZUNQAJZDH-UHFFFAOYSA-NSBB071085AKOS004119266AB12620CS-W015595
Database identifiers
- CAS
313545-44-7- PubChem CID
- 3539716
- DTXSID
DTXSID70393456- EC Number
- 834-705-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 104 · 104-108°C
- Boiling point
- 352.8 · 352.8±52.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.69 · 8.69±0.58(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 313545 · 313545-44-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,T+
- Risk Statements
- 36 · 36/37/38-36-34-26
- Safety Statements
- 26 · 26-36/37/39-45-23
- HS Code
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38-36-34-26
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T+
- safety_code
- 26-36/37/39-45-23
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Related reactions
3 records
Compound notes
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