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Cas Database

Name	DIPHENYLACETIC ACID	EINECS	204-185-0
CAS No.	117-34-0	Density	1.174 g/cm³
PSA	37.30000	LogP	2.90310
Solubility	Slightly soluble in water(0.13g/L).	Melting Point	147-149 °C(lit.)
Formula	C₁₄H₁₂O₂	Boiling Point	285 °C at 760 mmHg
Molecular Weight	212.248	Flash Point	140.4 °C
Transport Information	N/A	Appearance	white to creamy-white crystalline powder
Safety	24/25-36/37-26	Risk Codes	36/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2,2-diphenylacetic acid;2,2-diphenylacetate;Acetic acid, diphenyl-;p-methoxyphenylaceticacid;Benzeneacetic acid, alpha-phenyl-;1,1-Diphenylacetic acid;Benzeneacetic acid, .alpha.-phenyl-;alpha-Toluic acid, alpha-phenyl-;Benzeneacetic acid,R-phenyl-;	Article Data	220

DIPHENYLACETIC ACID Synthetic route

: 81771-08-6
benzhydryl 3,3,3-triphenylpropyl ether

A: 117-34-0
2,2-diphenylacetic acid

B: 15070-88-9
3,3,3-triphenylpropan-1-ol

Conditions

Conditions	Yield
With naphthalene; lithium In tetrahydrofuran	A 100% B 83%

: 17397-37-4
α,α-bromodiphenylacetyl bromide

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With tetraethylammonium chloride; sodium thiosulfate In dichloromethane at 20℃; for 24h; electrochemical reaction;	100%

: 88017-70-3
allyl 2,2-diphenylacetate

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With [2-(dicyclohexylphosphino)ethyl]trimethylammonium chloride; phenylsilane In tetrahydrofuran; water at 20℃; for 2h; Inert atmosphere;	100%

: 76-93-7
Benzilic acid

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With phosphonic Acid; methanesulfonic acid; sodium iodide In water at 95℃; for 24h; Inert atmosphere;	99.3%
With triethylsilane; perchloric acid In dichloromethane; water at 40℃; for 20h;	94%
With phosphorus; iodine weiteres Reagens: wss. Phosphorsaeure;

: 3469-00-9
methyl 2,2-diphenylacetate

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
Stage #1: methyl 2,2-diphenylacetate With potassium hydroxide In methanesulfonic acid at 65℃; Stage #2: With hydrogenchloride In water pH=2;	99%
With sodium hydroxide In ethanol at 85℃; for 6h;	85%
With potassium hydroxide In methanol at 35℃; for 0.5h;	83%
With water; indium (III) iodide; silica gel for 1.5h; Hydrolysis; Irradiation;	70%
With sodium hydroxide In methanol; water for 3h; Reflux;

: C22H20O4

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; Green chemistry;	99%

: 124-38-9
carbon dioxide

: 101-81-5
Diphenylmethane

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
Stage #1: Diphenylmethane With N,N,N,N,-tetramethylethylenediamine; sodium 2,2,6,6-tetramethylpiperidide In hexane at 20℃; for 1h; Inert atmosphere; Sealed tube; Stage #2: carbon dioxide In hexane at 20℃; for 0.0833333h; Inert atmosphere; Sealed tube;	96%
With n-butyllithium 1.) methylcyclohexane, THF, from 0 deg C to 25 deg C, 20 h, 2.) methylcyclohexane, THF, ether; Yield given. Multistep reaction;
With lithium diisopropylamide 1.) THF, cyclohexane, RT, 30 min; Yield given. Multistep reaction;
With i-Pr2NNa*TMEDA 1.) cyclohexane, THF, 21 deg C, 30 min, 2.) cyclohexene, THF; Yield given. Multistep reaction;

: 781-35-1
1,1-diphenylacetone

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With sodium hypochlorite; lithium hypochlorite In ethanol at 77℃; for 2h;	95%

: N-methyl picolinium diphenylacetate iodide

A: 117-34-0
2,2-diphenylacetic acid

B: 2301-80-6
N-methyl-4-methylpyridinium iodide

Conditions

Conditions	Yield
With sodium sulfate; ascorbic acid In chloroform-d1; water-d2; acetonitrile for 1h; UV-irradiation;	A 92.8% B n/a

: 124-38-9
carbon dioxide

: 90-99-3
diphenylchloromethane

: 117-34-0
2,2-diphenylacetic acid

Conditions

Conditions	Yield
With salcomine; tetrabutylammonium perchlorate In acetonitrile at 25℃; electrochemical reaction;	92.6%
With samarium; chloro-trimethyl-silane; tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; under 760.051 Torr; for 2h; Electrochemical reaction; Cooling with ice;	66%
(i) tBuCl, Li, Et2O, (ii) /BRN= 1900390/; Multistep reaction;

DIPHENYLACETIC ACID Chemical Properties

IUPAC Name: 2,2-diphenylacetic acid
The MF of DIPHENYLACETIC ACID(117-34-0): C₁₄H₁₂O₂
The MW of DIPHENYLACETIC ACID(117-34-0): 212.24
EINECS: 204-185-0
mp: 147-149 °C(lit.)
bp: 195°C 25mm
density: 1,257 g/cm³
Fp: 195 °C 25mm
Index of Refraction: 1.599
Appearance: White crystals.
Solubility in water: Soluble
Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
Categories: Pharmaceutical Intermediates; Aromatic Phenylacetic Acids and Derivatives; Carbonyl Compounds;Carboxylic Acids;
Synonyms: MONOCARBOXYMETHANEDIPHENYL;RARECHEM AL BO 1083;A-PHENYLPHENYLACETIC ACID;CARBOXYMETHANEDIPHENYL;DIPHENYLACETIC ACID;DIPHENYLMETHANE-A-CARBOXYLIC ACID;DIPHENYLMETHANE-ALPHA-CARBOXYLIC ACID;DIPHENYLMETHANECARBOXYLIC ACID
The Structure of DIPHENYLACETIC ACID(117-34-0):

DIPHENYLACETIC ACID Uses

DIPHENYLACETIC ACID(117-34-0) is used as herbicide.

DIPHENYLACETIC ACID Toxicity Data With Reference

1.	orl-rat LD50:5540 mg/kg	GNAMAP Gigiena Naselennykh Mest. Hygiene in Populated Places. 17 (1978),48.
2.	orl-mus LD50:3200 mg/kg	GNAMAP Gigiena Naselennykh Mest. Hygiene in Populated Places. 17 (1978),48.
3.	ipr-mus LD50:500 mg/kg	FRPSAX Farmaco, Edizione Scientifica. 13 (1958),286.
4.	scu-mus LD50:400 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 116 (1958),154.

DIPHENYLACETIC ACID Consensus Reports

Reported in EPA TSCA Inventory.

DIPHENYLACETIC ACID Safety Profile

Poison by subcutaneous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:

Xi
Risk Statements: 36/38-36/37/38
36/38: Irritating to eyes and skin
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 24/25-36/37-26
24/25: Avoid contact with skin and eyes
36/37: Wear suitable protective clothing and gloves
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 2
RTECS: AH2515000
HS Code: 29163900

DIPHENYLACETIC ACID Specification

1. First Aid Measures
Ingestion:
Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
2. Handling and Storage
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.

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