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2-Nitrobenzeneboronicacidpinacolester

2-Nitrobenzeneboronicacidpinacolester structure

CAS No:
190788-59-1
Formula:
C12H16BNO4
Chemical Name:
2-Nitrobenzeneboronicacidpinacolester
Synonyms:
2-Nitrobenzeneboronic acid, pinacol ester 98%;2-Nitrobenzeneboronic acid pinacol cyclic ester;2-Nitrophenylboronic acid pinacol cyclic ester~2-(2-Nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-NITROBENZENEBORONIC ACID PINACOL ESTER;2-NITROPHENYLBORONIC ACID, PINACOL ESTER;2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE;2-(2-Nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene;2-Nitrophenylboronic Acid Pinacol Cyclic Ester~2-(2-Nitrophenyl)-
Categories:
Organic Chemistry > Coordination Complexes

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2-Nitrobenzeneboronicacidpinacolester Basic Attributes

Molecular Weight：

249.07

Exact Mass：

249.1172382

DSSTox ID：

DTXSID70395213

HScode：

2934999090

Characteristics

PSA：

86.28000

XLogP3：

-0.20220

Density：

1.14±0.1 g/cm3

Melting Point：

42-44°C

Boiling Point：

358.2±25.0 °C(Predicted)

Flash Point：

170.4ºC

Refractive Index：

1.515

Vapor Pressure：

5.36E-05mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

GHS Classification：

|Warning|H302 (22.22%): 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 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:249.07
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:249.1172382
Monoisotopic Mass:249.1172382
Topological Polar Surface Area:64.3
Heavy Atom Count:18
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Nitrobenzeneboronic acid pinacol ester

CAS No.: 190788-59-1

Content: 99.00%

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