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84-15-1

Basic Information
CAS No.: 84-15-1
Name: 1,1':2',1''-Terphenyl
Molecular Structure:
Molecular Structure of 84-15-1 (1,1':2',1''-Terphenyl)
Formula: C18H14
Molecular Weight: 230.30
Synonyms: o-Terphenyl(8CI);1,1'-Biphenyl, 2-phenyl-;1,2-Diphenylbenzene;NSC 6809;AI3-01402;HSDB 2538;
EINECS: 201-517-6
Density: 1.046 g/cm3
Melting Point: 56-59 °C(lit.)
Boiling Point: 332 °C at 760 mmHg
Flash Point: 153.1 °C
Solubility: Soluble in acetone, chloroform and benzene, insoluble in water
Appearance: Colorless or light-yellow solid
Hazard Symbols: HarmfulXn,ToxicT,IrritantXi,FlammableF
Risk Codes: 22-36/37/38-50/53-40-36/38-21/22-67-66-11
Safety: 26-61-60-36/37-24/25-23-16-9
Transport Information: UN 3077 9/PG 3
PSA:
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: CL 0.5 ppm
ACGIH TLV: TWA CL 0.5 ppm

Analytical Methods

For occupational chemical analysis use NIOSH: α-Terphenyl 5021.
 


 

Specification

The o-Terphenyl with CAS registry number of 84-15-1 is also known as 1,1':2',1''-Terphenyl. The IUPAC name is 1,2-Diphenylbenzene. Its EINECS registry number is 201-517-6. In addition, the formula is C18H14 and the molecular weight is 230.30. This chemical is a colorless or light-yellow solid that soluble in acetone, chloroform and benzene but insoluble in water. It may cause inflammation to the skin or other mucous membranes and it at low levels causes damage to health. Besides, it may catch fire in contact with air and has a very low flash point or evolve highly flammable gases in contact with water. What's more, this chemical should be sealed in cool place and it can be used as flashing kit.

Physical properties about o-Terphenyl are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 6004.27; (6)ACD/BCF (pH 7.4): 6004.27; (7)ACD/KOC (pH 5.5): 17628.44; (8)ACD/KOC (pH 7.4): 17628.44; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 75.43 cm3; (12)Molar Volume: 220 cm3; (13)Surface Tension: 40.2 dyne/cm; (14)Density: 1.046 g/cm3; (15)Flash Point: 153.1 °C; (16)Enthalpy of Vaporization: 55.19 kJ/mol; (17)Boiling Point: 332 °C at 760 mmHg; (18)Vapour Pressure: 0.00029 mmHg at 25 °C.

Preparation of o-Terphenyl: it is prepared by reaction of o-di-isopropylthio-benzol with phenylmagnesium bromide. The reaction needs catalyst nickel diphenylphosphine dichloride and solvents benzene, diethyl ether at the temperature of 50 °C for 4 hours. The yield is about 67%.

o-Terphenyl is prepared by reaction of o-di-isopropylthio-benzol with phenylmagnesium bromide.

Uses of o-Terphenyl: it is used to produce 4,4''-dibromo-o-terphenyl. The reaction occurs with reagents bromine, iron and solvent CHCl3 for 1.2 hours. The yield is about 39%.

o-Terphenyl is used to produce 4,4''-dibromo-o-terphenyl.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful in contact with skin and if swallowed and vapours may cause drowsiness or dizziness. Because of highly flammable, repeated exposure may cause skin dryness or cracking. There is limited evidence of a carcinogenic effect. Furthermore, this chemical is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and avoid contact with skin and eyes. Do not breathe gas/fumes/vapour/spray and avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, this material and its container must be disposed of as hazardous waste. Keep container in a well-ventilated place away from sources of ignition.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3
2. InChI: InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
3. InChIKey: OIAQMFOKAXHPNH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1900mg/kg (1900mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
American Industrial Hygiene Association Journal. Vol. 23, Pg. 372, 1962.