2,2-Diphenylacetic acid

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Names

[ CAS No. ]:
117-34-0

[ Name ]:
2,2-Diphenylacetic acid

[Synonym ]:
Benzeneacetic acid, α-phenyl-
MFCD00004251
1,1-Diphenylacetic acid
Diphenylacetic acid
α,α-Diphenylacetic acid
2,2-Diphenylacetic acid
acetic acid, diphenyl-
Diphenylmethane-α-carboxylic Acid
EINECS 204-185-0
Acetic acid,diphenyl
Diphenylethanoic acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
285.0±7.0 °C at 760 mmHg

[ Melting Point ]:
147-149 °C(lit.)

[ Molecular Formula ]:
C14H12O2

[ Molecular Weight ]:
212.244

[ Flash Point ]:
140.4±14.7 °C

[ Exact Mass ]:
212.083725

[ PSA ]:
37.30000

[ LogP ]:
3.25

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.599

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AH2515000
CHEMICAL NAME :
Acetic acid, diphenyl-
CAS REGISTRY NUMBER :
117-34-0
BEILSTEIN REFERENCE NO. :
1910978
LAST UPDATED :
199803
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H12-O2
MOLECULAR WEIGHT :
212.26
WISWESSER LINE NOTATION :
QVYR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5540 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - ataxia
REFERENCE :
GNAMAP Gigiena Naselennykh Mest. Hygiene in Populated Places. (Izdatel'stvo Zdorov'ya, Kiev, USSR) V.7- 1967- Volume(issue)/page/year: 17,48,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - ataxia
REFERENCE :
GNAMAP Gigiena Naselennykh Mest. Hygiene in Populated Places. (Izdatel'stvo Zdorov'ya, Kiev, USSR) V.7- 1967- Volume(issue)/page/year: 17,48,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,286,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33240 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count Related to Chronic Data - death
REFERENCE :
GNAMAP Gigiena Naselennykh Mest. Hygiene in Populated Places. (Izdatel'stvo Zdorov'ya, Kiev, USSR) V.7- 1967- Volume(issue)/page/year: 17,48,1978

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AH2515000

[ HS Code ]:
29163900

Synthetic Route

Precursor & DownStream

Precursor

  • Benzilic acid
  • Diphenylacetaldehyde
  • 2-bromo-2,2-diphenylacetyl chloride
  • methyl diphenylacetate
  • Carbon dioxide
  • benzhydryl chloride
  • Benzilide
  • 1,1-Diphenylacetone
  • carbon monoxide
  • Bromodiphenylmethane

DownStream

  • methyl diphenylacetate
  • 2-pyridone
  • Methyl benzilate
  • 2-(2,2-diphenylhex-5-enoxy)oxane
  • Ethanone,1-(4-morpholinyl)-2,2-diphenyl-
  • 2,2-Diphenylethanamine
  • diphenylmethylamine
  • Benzeneacetamide,N-(4-methoxyphenyl)-a-phenyl-
  • 1,1-Diphenylethane
  • 9H FLUORENE

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • 2-bromo-2,2-diphenylacetic acid
  • 2-allyl-2,2-diphenylacetic acid
  • 2-amino-2,2-diphenylacetic acid
  • 2-ethoxy-2,2-diphenylacetic acid
  • 2-chloro-2,2-diphenylacetic acid
  • 2-hydroxy-2,2-diphenylacetic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (3-((2,6-Dimethylpyrimidin-4-yl)oxy)piperidin-1-yl)(4-morpholinophenyl)methanone
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • (E)-1-(4-(2H-1,2,3-triazol-2-yl)piperidin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one