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4-Methyl-3-nitrophenylboronicacid

4-Methyl-3-nitrophenylboronicacid structure

CAS No:
80500-27-2
Formula:
C7H8BNO4
Chemical Name:
4-Methyl-3-nitrophenylboronicacid
Synonyms:
AKOS BRN-0124;RARECHEM AH PB 0107;3-NITRO-P-TOLYLBORONIC ACID;2-Nitrotoluene-4-boronic acid;4-Methyl-3-Nitrophenylboronic;4-METHYL-3-NITROPHENYLBORONIC ACID;3-Nitro-4-methylphenylboronic acid;4-Chloro-3-methyphenylboronic acid;4-METHYL-3-NITROBENZENEBORONIC ACID;3-NITRO-4-METHYLBENZENE BORONIC ACID

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Description

white to light yellow crystal powder

4-Methyl-3-nitrophenylboronicacid Basic Attributes

Molecular Weight：

180.95

Exact Mass：

181.054642

BRN：

3279018

EC Number：

-0

DSSTox ID：

DTXSID00378514

HScode：

2931900090

Characteristics

PSA：

86.3

XLogP3：

0.10620

Appearance：

white to light yellow crystal powder

Density：

1.3±0.1 g/cm3

Melting Point：

265-270 °C(lit.)

Boiling Point：

356.7°C at 760 mmHg

Flash Point：

169.5±30.7 °C

Refractive Index：

1.564

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (16.67%): 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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methyl-3-nitrophenylboronicacid Use and Manufacturing

Reactant for:• ;Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation1• ;Suzuki-Miyaura coupling reactions2,3• ;Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes4

Computed Properties

Molecular Weight:180.96
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:181.0546379
Monoisotopic Mass:181.0546379
Topological Polar Surface Area:86.3
Heavy Atom Count:13
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Methyl-3-nitrophenylboronicacid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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4-Methyl-3-nitrophenylboronic acid

CAS No.: 80500-27-2

Content: 99.00%

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Guide of 4-Methyl-3-nitrophenylboronicacid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers

4-Methyl-3-nitrophenylboronicacid

SDS

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