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4-Methyl-1,1'-biphenyl

Catalog Number
ACM644086-1
CAS Number
644-08-6
Product Name
4-Methyl-1,1'-biphenyl
Structure
Category
Liquid Crystal (LC) Materials
Description
Solid;White solid
IUPAC Name
1-methyl-4-phenylbenzene
Molecular Weight
168.23g/mol
Molecular Formula
C13H12
Canonical SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key
ZZLCFHIKESPLTH-UHFFFAOYSA-N
Boiling Point
267.5 °C
Melting Point
49.5 °C;Mp 49-50 °;49-50°C
Solubility
2.41e-05 M;0.00405 mg/mL at 25 °C;0.00405 mg/mL at 25 °C;Insoluble in water;Soluble (in ethanol)
Complexity
136
Covalently-Bonded Unit Count
1
EC Number
211-409-0
Exact Mass
168.0939g/mol
Formal Charge
0
Heavy Atom Count
13
Log P
4.63 (LogP);4.63;4.63
Monoisotopic Mass
168.0939g/mol
NSC Number
407669
Rotatable Bond Count
1
UNII
13J700766D
XLogP3
4.6
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