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2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure

CAS No:
380430-64-8
Formula:
C13H16BNO3
Chemical Name:
2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms:
1,3,2-Dioxaborolane,2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-;2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-isocyanatophenylboronic acid pinacol ester;1173207-38-9

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2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Basic Attributes

Molecular Weight：

245.08200

Exact Mass：

245.08

DSSTox ID：

DTXSID90378482

HScode：

2931900090

Characteristics

PSA：

47.89000

XLogP3：

1.95310

Density：

1.05g/cm3

Melting Point：

162-168ºC

Boiling Point：

100-105ºC 2mm

Flash Point：

154.4ºC

Refractive Index：

1.508

Safety Information

Transport codes：

UN 2206

hazard class code：

R20/21/22

safety instructions：

S26; S28; S36/37/39

Marks：

C; T

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:245.08
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:245.1223235
Monoisotopic Mass:245.1223235
Topological Polar Surface Area:47.9
Heavy Atom Count:18
Complexity:339
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Isocyanatophenylboronic acid pinacol ester

CAS No.: 380430-64-8

Content: 99.00%

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Guide of 2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Attributes
Characteristics
Safety Information
Computed Properties
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