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1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER

1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER structure

CAS No:
192182-55-1
Formula:
C9H10BNO2
Chemical Name:
1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER
Synonyms:
1-METHYL-5-INDOLYLBORONIC ACID;1-METHYLINDOLE-5-BORONIC ACID;1-N-METHYLINDOLE-5-BORONIC ACID;1-Methyl-1H-indol-5-ylboronic acid, 1-Methyl-5-indoleboronic acid;N-METHYLINDOL-5-BORONIC ACID;1-Methylindole-5-Boronic;1-methyl-1H-indol-5-yl-5-boronic acid;1-Methyl-indol-2-ylboronic acid
Categories:
Organic Chemistry > Coordination Complexes

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1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER Basic Attributes

Molecular Weight：

174.99

Exact Mass：

175.080460

DSSTox ID：

DTXSID40374954

HScode：

2933990090

Characteristics

PSA：

45.4

XLogP3：

-0.14190

Density：

1.16±0.1 g/cm3(Predicted)

Boiling Point：

402.6±37.0 °C(Predicted)

Flash Point：

197.3±26.5 °C

Refractive Index：

1.571

Vapor Pressure：

3.33E-07mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38-22-41-37/38

safety instructions：

26-36/37/39-39

Marks：

Xi,Xn

Hazard note：

Irritant

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:174.99
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.0804587
Monoisotopic Mass:175.0804587
Topological Polar Surface Area:45.4
Heavy Atom Count:13
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER

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