CAS 89694-47-3 (4-Chloro-3-methoxyphenyl)boronic acid (HCID 23005377)

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Basic information

CAS: 89694-47-3
Standard SMILES: COc1cc(B(O)O)ccc1Cl
InChIKey: DZNNRXURZJLARZ-UHFFFAOYSA-N
Molecular formula: C7H8BClO3
Average molar mass: 186.4 g/mol
Monoisotopic mass: 186.0255022

Names & identifiers

Preferred name: (4-Chloro-3-methoxyphenyl)boronic acid
IUPAC: (4-chloro-3-methoxyphenyl)boronic acid
English name: (4-Chloro-3-methoxyphenyl)boronicacid
Molecular formula: C7H8BClO3
Molecular weight: 186.4

Names & synonyms

89694-47-3(4-chloro-3-methoxyphenyl)boronic acidDTXSID70629646RefChem:402622DTXCID20580399833-863-44-chloro-3-methoxyphenylboronic acid(4-CHLORO-3-METHOXYPHENYL)BORONICACIDMFCD013189654-chloro-3-methoxybenzeneboronic acidB-(4-Chloro-3-methoxyphenyl)boronic acid4-Choro-3-methoxyphenylboronic acid

Show more names

4-Chloro-3-methoxybenzeneboronicacidB-(4-Chloro-3-methoxy-phenyl)boronic acid4-Chloro-3-methoxyphenylboronic acid, >=98%Boronic acid, B-(4-chloro-3-methoxyphenyl)-4-Chloro-3-methoxyphenylboronic Acid (contains varyi

4-chloro-3-methoxyphenyl boronic acidCS-W002768SB39695NCGC00336368-01SY0305474-Chloro-3-methoxyphenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, (4-chloro-3-methoxyphenyl)-AMY3429

Database identifiers

CAS: 89694-47-3
PubChem CID: 23005377
DTXSID: DTXSID70629646
EC Number: 833-863-4

Properties

Computed structural properties

Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 151 °C · 151°C(lit.)
Boiling point: 341.7 · 341.7±52.0 °C(Predicted)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 7.91 · 7.91±0.10(Predicted)
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.