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Chemical Product CAS:1679-18-14-Chlorophenylboronic acid

CAS:1679-18-1
4-Chlorophenylboronic acid

  • CAS No:

    1679-18-1
  • Name:

    4-Chlorophenylboronic acid
  • Molecular Formula:

    C6H6BClO2
  • Molecular Weight:

    156.37
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4-Chlorophenylboronic acid ( CASNO:1679-18-1 )

Identification and Related Records
Name:
4-Chlorophenylboronic acid
CAS Registry number:
1679-18-1
Synonyms:
p-Chlorophenylboronic acid
(4-chlorophenyl)boronic acid
Boronic acid, (4-chlorophenyl)-
p-Chlorobenzeneboronic acid
EINECS(EC#):
216-845-5
Molecular Formula:
C6H6BClO2
Molecular Weight:
156.37
Inchi:
InChI=1/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
Canonical SMILES:
B(C1=CC=C(C=C1)Cl)(O)O
Chemical and Physical Properties
Appearance:
White - off-white powder.
Density:
1.32g/cm3
Melting Point:
284-289℃
Boiling Point:
295.4 oC
Vapour:
0.000693mmHg at 25°C
Refractive Index:
1.557
Flash Point:
132.4 oC
Water:
2.5 g/100 mL
Solubilities:
2.5 g/100 mL in water
Stability:
Stable under normal temperatures and pressures.
Storage temp:
Refrigerator (+4°C)
Computed Properties:
Molecular Weight:156.37464 [g/mol]
Molecular Formula:C6H6BClO2
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:156.014938
MonoIsotopic Mass:156.014938
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Formal Charge:0
Complexity:102
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Safety and Handling
Hazard Codes:
Xi:Irritant
Risk Statements:
R36/37/38
Safety Statements:
S26;S37/39
HazardClass:
IRRITANT
Hazard Note:
Irritant
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