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2-Methoxymethylphenylboronicacid

2-Methoxymethylphenylboronicacid structure

CAS No:
126617-98-9
Formula:
C8H11BO3
Chemical Name:
2-Methoxymethylphenylboronicacid
Synonyms:
2-METHOXYMETHYLBENZENEBORONIC ACID;2-METHOXYMETHYLPHENYLBORONIC ACID;2-Methoxymethylphebylboronic acid;2-(Methoxymethyl)Phenylboronic;AKOS BRN-0211;Boronicacid, [2-(methoxymethyl)phenyl]- (9CI);BORONICACID, [2-(METHOXYMETHYL)PHENYL]- (9CI);;Boronic acid, B-[2-(methoxymethyl)phenyl]-
Categories:
Organic Chemistry > Coordination Complexes

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2-Methoxymethylphenylboronicacid Basic Attributes

Molecular Weight：

165.98

Exact Mass：

166.0801244

DSSTox ID：

DTXSID00396031

HScode：

2931900090

Characteristics

PSA：

49.69000

XLogP3：

-0.48720

Density：

1.13±0.1 g/cm3

Boiling Point：

309.8±44.0 °C(Predicted)

Water Solubility：

Slightly soluble in water.

PKA：

8.50±0.58

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Xi,Xn

GHS Classification：

|Warning|H302 (50%): 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:165.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.0801244
Monoisotopic Mass:166.0801244
Topological Polar Surface Area:49.7
Heavy Atom Count:12
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methoxymethylphenylboronicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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