(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)

HCID 23005362

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Basic information

CAS: 89488-25-5
Standard SMILES: OB(O)c1cc(Cl)ccc1O
InChIKey: GGZASRFCRAZNPO-UHFFFAOYSA-N
Molecular formula: C6H6BClO3
Average molar mass: 172.37 g/mol
Monoisotopic mass: 172.00985213

Names & identifiers

Preferred name: (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)
IUPAC: (5-chloro-2-hydroxyphenyl)boronic acid
English name: 5-CHLORO-2-HYDROXYPHENYLBORONIC ACID
Molecular formula: C6H6BClO3
Molecular weight: 172.37

Names & synonyms

(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)RefChem:403926639-351-55-CHLORO-2-HYDROXYPHENYLBORONIC ACID89488-25-5(5-Chloro-2-hydroxyphenyl)boronic acid5-Chloro-2-hydroxybenzeneboronic acidMFCD066598635-CHLORO-2-HYDROXYPHENYLBORONICACIDDTXSID20629636AKOS004113800AB26500

Show more names

AKOS BRN-07422-Borono-4-chlorophenol5-CHLORO-2-HYDROXYPHENYLBORONICoro-2-hydroxybenzeneboronic acid2-Hydroxy-5-chlorophenylboronic acid5-Chloro-2-hydroxybenzeneboronicacid97%Benzeneboronic acid, 5-chloro-2-hydroxy-B-(5-Chloro-2-hydroxyphenyl)boronic acid

PS-9506(5-Chloro-2-hydroxyphenyl) boronic acidCS-0008642EN300-2574655-Chloro-2-hydroxyphenylboronic acid, AldrichCPRBoronic acid, (5-chloro-2-hydroxyphenyl)-5-Chloro-2-Hydroxyphenyl-Boronic AcidSCHEMBL320185

Database identifiers

CAS: 89488-25-5
PubChem CID: 23005362
DTXSID: DTXSID20629636
EC Number: 639-351-5
Nikkaji: J3.298.132A

Properties

Computed structural properties

Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 166 · 166-170
Boiling point: 369.3 · 369.3±52.0 °C(Predicted)
Density: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
pka: 7.63 · 7.63±0.58(Predicted)
color: White
InChI: InChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChIKey: GGZASRFCRAZNPO-UHFFFAOYSA-N
SMILES: B(C1=CC(Cl)=CC=C1O)(O)O
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
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
Hazard Note: Irritant
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.