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2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONICACID

2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONICACID structure

CAS No:
126120-87-4
Formula:
C7H5BF2O4
Chemical Name:
2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONICACID
Synonyms:
2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONIC ACID;2,2-Difluoro-1,3-benzodioxole-4-boronic acid 98%;2,3-(Difluoromethylenedioxy)benzeneboronic acid, 4-Borono-2,2-difluoro-1,3-benzodioxole;(2,2-difluoro-2H-1,3-benzodioxol-4-yl)boronic acid;2,2-Difluoro-1,3-benzodioxole-4-boronicacid98%;(2,2-Difluoro-1,3-benzodioxol-4-yl)boronic acid;2,2-Difluorobenzo[1,3]dioxole-4-voronic acid;3-Borono-1,2-(difluoromethylenedioxy)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONICACID Basic Attributes

Molecular Weight：

201.92

Exact Mass：

202.0248951

DSSTox ID：

DTXSID30586049

Characteristics

Density：

1.58±0.1 g/cm3

Boiling Point：

299.0±50.0 °C(Predicted)

PKA：

7.80±0.40

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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.

Computed Properties

Molecular Weight:201.92
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:202.0248951
Monoisotopic Mass:202.0248951
Topological Polar Surface Area:58.9
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 126120-87-4

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Guide of 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-4-BORONICACID

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Characteristics
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