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Home > Encyclopedia > 3-CHLORO-4-CYANOPHENYLBORONIC ACID

3-CHLORO-4-CYANOPHENYLBORONIC ACID

3-CHLORO-4-CYANOPHENYLBORONIC ACID structure

3-CHLORO-4-CYANOPHENYLBORONIC ACID 

structure
  • CAS No:

    1008415-02-8

  • Formula:

    C7H5BClNO2

  • Chemical Name:

    3-CHLORO-4-CYANOPHENYLBORONIC ACID

  • Synonyms:

    (3-Chloro-4-cyanophenyl)boronic acid;3-CHLORO-4-CYANOPHENYLBORONIC ACID;Boronic acid, B-(3-chloro-4-cyanophenyl)-;ACMC-2097sr;SCHEMBL14120471;CTK3J9295;DTXSID30674576;ANW-14377;AKOS006325029;ZINC169794742

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-CHLORO-4-CYANOPHENYLBORONIC ACID Basic Attributes

181.3841

181.01000

DTXSID30674576

Characteristics

64.2

Solid

1.41±0.1 g/cm3(Predicted)

405.2±55.0 °C(Predicted)

Safety Information

22

Xn

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:181.38
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.0101863
Monoisotopic Mass:181.0101863
Topological Polar Surface Area:64.2
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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