4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID
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4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID
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CAS No:
874288-38-7
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Formula:
C9H10BFO4
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Chemical Name:
4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID
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Synonyms:
4-(ETHOXYCARBONYL)-3-FLUOROBENZENEBORONIC ACID;4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID;4-(Ethoxycarbonyl)-3-fluorobenzeneboronic acid 95%;4-(Ethoxycarbonyl)-3-fluorobenzeneboronicacid95%;Ethyl 4-borono-2-fluorobenzoate;4-(Ethoxycarbonyl)-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- Categories:
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CAS No:
4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID Basic Attributes
211.98
212.065613
DTXSID00376838
2931900090
Characteristics
66.8
-0.31780
1.3±0.1 g/cm3
158-161
370.5°C at 760 mmHg
177.8±30.7 °C
1.510
Keep Cold
Safety Information
IRRITANT
22-26-36/37/38
26-28-36/37-45
Xi,T
Irritant/Keep Cold
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID Use and Manufacturing
4-Ethoxycarbonyl-3-fluorobenzeneboronic Acid is used in combinatorial chemistry as a reagent for the synthesis of analog libraries of compounds including isoquinolines, furan and beno[b]thiophenes.
Computed Properties
Molecular Weight:211.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:212.0656171
Monoisotopic Mass:212.0656171
Topological Polar Surface Area:66.8
Heavy Atom Count:15
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-ETHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID
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