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Chemical Product CAS:191162-39-7Boronic acid,B-3-quinolinyl-

CAS:191162-39-7
Boronic acid,B-3-quinolinyl-

  • CAS No:

    191162-39-7
  • Name:

    Boronic acid,B-3-quinolinyl-
  • Molecular Formula:

    C9H8BNO2
  • Molecular Weight:

    172.98
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Boronic acid,B-3-quinolinyl- ( CASNO:191162-39-7 )

Identification and Related Records
Name:
Boronic acid,B-3-quinolinyl-
CAS Registry number:
191162-39-7
Iupac name:
quinolin-3-ylboronic acid
Synonyms:
Boronicacid, 3-quinolinyl- (9CI)
(3-Quinolinyl)boronic acid
(3-Quinolyl)boronicacid
Quinolin-3-ylboronic acid
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.98
Inchi:
InChI=1/C8H10BrNO/c1-3-11-8-7(9)4-6(2)5-10-8/h4-5H,3H2,1-2H3
Canonical SMILES:
B(C1=CC2=CC=CC=C2N=C1)(O)O
Chemical and Physical Properties
Appearance:
light pink or orange to light brown powder
Density:
1.28g/cm3
Melting Point:
148℃
Boiling Point:
400.3°Cat760mmHg
Vapour:
0.066mmHg at 25°C
Refractive Index:
1.531
Flash Point:
195.9°C
Storage temp:
Keep Cold
Computed Properties:
Molecular Weight:172.97632 [g/mol]
Molecular Formula:C9H8BNO2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:173.064809
MonoIsotopic Mass:173.064809
Topological Polar Surface Area:53.4
Heavy Atom Count:13
Formal Charge:0
Complexity:177
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:
Xn:Harmful;
Risk Statements:
R22;R36/37/38
Safety Statements:
S22;S26;S36/37/39
HazardClass:
IRRITANT, KEEP COLD
Hazard Note:
Irritant
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