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Chemical Product CAS:92-88-64,4'-Biphenol

CAS:92-88-6
4,4'-Biphenol

  • CAS No:

    92-88-6
  • Name:

    4,4'-Biphenol
  • Molecular Formula:

    C12H10O2
  • Molecular Weight:

    186.21
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4,4'-Biphenol ( CASNO:92-88-6 )

Identification and Related Records
Name:
4,4'-Biphenol
CAS Registry number:
92-88-6
Iupac name:
4-(4-hydroxyphenyl)phenol
Synonyms:
4,4'-Biphenyldiol(8CI)
4,4'-Dihydroxy-1,1-biphenyl
4,4'-Dihydroxybiphenyl
4,4'-Diphenol
4-(4-Hydroxyphenyl)phenol
ASM DOD
Antioxidant DOD
B 0464
BPL (phenol)
DOD
NSC 8711
p,p'-Biphenol
p,p'-Dihydroxybiphenyl
p,p'-Diphenol
p-Dihydroxydiphenyl
p-Diphenol
EINECS(EC#):
202-200-5
Molecular Formula:
C12H10O2
Molecular Weight:
186.21
Inchi:
InChI=1/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChIKey:
VCCBEIPGXKNHFW-UHFFFAOYSA-N
Canonical SMILES:
C1=CC(=CC=C1C2=CC=C(C=C2)O)O
Chemical and Physical Properties
Appearance:
Powder
Density:
1.228 g/cm3 
Melting Point:
278-283℃
Boiling Point:
355.2 °C at 760 mmHg
Flash Point:
176.1 °C
Water:
sparingly soluble
Solubilities:
sparingly soluble
Stability:
Stable under normal temperatures and pressures.
HS Code:
29061900
Storage temp:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Computed Properties:
Molecular Weight:186.2066 [g/mol]
Molecular Formula:C12H10O2
XLogP3:3.6
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:5
Exact Mass:186.06808
MonoIsotopic Mass:186.06808
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Formal Charge:0
Complexity:145
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
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2
Safety and Handling
Hazard Codes:
Xn:Harmful;
Risk Statements:
R21;R36/37/38
Safety Statements:
S24/25
Safety:
Safety Information about?4,4'-Biphenyldiol (CAS NO.92-88-6):
Hazard Codes:?HarmfulXn
Risk Statements: 21-36/37/38
R21:Harmful in contact with skin.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-36/37
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 2
RTECS: DV4725000
HS Code: 29061900
Poison by intraperitoneal route. Moderately toxic by skin contact. Mildly toxic by ingestion. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification:
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.
Report:
Reported in EPA TSCA Inventory.
Use and Manufacturing
Usage:
Intermediates of Liquid Crystals
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Metabolink Research:
 
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