4-Chlorobiphenyl

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Catalog Number
ACM2051629
Product Name
4-Chlorobiphenyl
Structure
Structure
CAS
2051-62-9
Category
Other
Description
4-chlorobiphenyl appears as colorless crystals or shiny off-white flakes. (NTP, 1992)
Synonyms
4-Chloro-1,1'-biphenyl
IUPAC Name
1-chloro-4-phenylbenzene
Molecular Weight
188.65
Molecular Formula
C12H9Cl
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key
FPWNLURCHDRMHC-UHFFFAOYSA-N
Boiling Point
556 °F at 760 mm Hg (NTP, 1992);292.9 °C
Melting Point
171.9 °F (NTP, 1992);78.8 °C
Solubility
less than 1 mg/mL at 72° F (NTP, 1992);7.10e-06 M
Complexity
141
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
218-127-7
Exact Mass
188.0392
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
LogP
4.61 (LogP)
Monoisotopic Mass
188.0392
NSC Number
37066
Rotatable Bond Count
1
Topological Polar Surface Area
0 Ų
UNII
QA22Z3NGLU
UN Number
3432
Vapor Pressure
1 mm Hg at 205.5 °F ; 10 mm Hg at 294.8° F; 760 mm Hg at 559.2° F (NTP, 1992);0.01 mmHg
XLogP3
4.6
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