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2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID

2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID structure

CAS No:
155884-01-8
Formula:
C7H7BN4O2
Chemical Name:
2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID
Synonyms:
2-(TETRAZOL-5-YL)BENZENEBORONIC ACID;2-(TETRAZOL-5-YL)PHENYLBORONIC ACID;Boronic acid, B-[2-(2H-tetrazol-5-yl)phenyl]-;2-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID;2-(5-Tetrazolyl)phenylboronic acid;2-(1H-Tetrazol-5-yl)benzeneboronic acid;2-(1H-Tetrazol-5-yl)phenylboronic acid;2-(Tetrazol-5-yl)phenylboronic acid >=95%
Categories:
Organic Chemistry > Coordination Complexes

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2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID Basic Attributes

Molecular Weight：

189.97

Exact Mass：

190.0662056

DSSTox ID：

DTXSID70457562

HScode：

2933990090

Characteristics

PSA：

94.92000

XLogP3：

-1.45350

Density：

1.51

Melting Point：

148-152°C

Boiling Point：

507.1±60.0 °C(Predicted)

Flash Point：

260.5ºC

Refractive Index：

1.641

Vapor Pressure：

4.17E-11mmHg at 25°C

PKA：

4.35±0.10

Safety Information

wgk germany：

hazard class code：

36-22

safety instructions：

26-36

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:189.97
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.0662056
Monoisotopic Mass:190.0662056
Topological Polar Surface Area:94.9
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Content: 99.00%

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CAS No.: 155884-01-8

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Latest News on 2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID

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Guide of 2-(2H-TETRAZOL-5-YL)-PHENYLBORONICACID

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