Felbinac

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Names

[ CAS No. ]:
5728-52-9

[ Name ]:
Felbinac

[Synonym ]:
4-Biphenylacetic acid
[1,1'-Biphenyl]-4-acetic acid
Biphenyl-4-acetic acid
EINECS 227-233-2
L-141
TraxaM
RARECHEM AL BO 0343
p-Biphenylacetic acid
biphenyl-4-ylacetic acid
BPAA
Felbinac (TN)
MFCD00004351
Felbinac
4-Biphenylylacetic acid
Napageln
Seltouch

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
389.8±21.0 °C at 760 mmHg

[ Melting Point ]:
159-160 °C(lit.)

[ Molecular Formula ]:
C14H12O2

[ Molecular Weight ]:
212.244

[ Flash Point ]:
286.6±17.2 °C

[ Exact Mass ]:
212.083725

[ PSA ]:
37.30000

[ LogP ]:
3.26

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.596

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DU8229050
CHEMICAL NAME :
4-Biphenylacetic acid
CAS REGISTRY NUMBER :
5728-52-9
BEILSTEIN REFERENCE NO. :
1211592
LAST UPDATED :
199612
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C14-H12-O2
MOLECULAR WEIGHT :
212.26

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 :
164 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INFLD4 Inflammation. (Plenum Publishing Corp., 233 Spring St., New York, NY 10013) V.1- 1975- Volume(issue)/page/year: 1,415,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
495 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
148 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
675 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
508 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
730 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1280 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg/30D-C
TOXIC EFFECTS :
Liver - other changes Blood - normocytic anemia Related to Chronic Data - death
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3640 mg/kg/26W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes Blood - changes in spleen Related to Chronic Data - death
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2107,1986 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
540 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - behavioral
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2153,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
270 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2153,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
360 mg/kg
SEX/DURATION :
female 6-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2142,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
240 mg/kg
SEX/DURATION :
female 6-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 20,2142,1986

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H331-H315-H319-H335

[ Precautionary Statements ]:
P261-P301 + P310-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S45-S37/39-S28A-S26/36/3745/60-S20

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DU8229050

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29163900

Synthetic Route

Precursor & DownStream

Precursor

  • 4-(Chloromethyl)biphenyl
  • carbon monoxide
  • Phenylboronic acid
  • 4-Bromophenylacetic acid
  • Phenyltrimethoxysilane
  • 4-Chlorophenylacetic acid
  • Sodium tetraphenylborate
  • ethyl 2-([1,1'-biphenyl]-4-yl)-2-tosylacetate
  • felbinacethyl
  • 1-morpholin-4-yl-2-(4-phenylphenyl)ethanethione

DownStream

  • 2-[1,1-Biphenyl]-4-Yl-1-Ethanol
  • 3-(4-Biphenylyl)propanoic acid
  • 4-Ethylbiphenyl
  • Ethanone,2-[1,1'-biphenyl]-4-yl-1-phenyl-
  • 4-Biphenylcarbaldehyde
  • 2-(4-phenylphenyl)propanoic acid
  • felbinacethyl
  • 2-(4-phenylphenyl)acetohydrazide
  • 4-(Chloromethyl)biphenyl
  • 1-diazonio-3-(4-phenylphenyl)prop-1-en-2-olate

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

  • felbinacethyl
  • felbinac sodium salt
  • Ethyl 2-amino-4-fluoro-5-[(2-methylpropyl)amino]benzoate
  • 1-(3-hydroxybutyl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
  • 2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
  • 5-cyclopropyl-1-(3-hydroxybutyl)-1H-1,2,3-triazole-4-carboxylic acid
  • Ethyl 2-amino-4-fluoro-5-(piperidin-1-yl)benzoate
  • Tert-butyl (s)-3-(methylsulfonamido)pyrrolidine-1-carboxylate
  • Tri(propan-2-yl)-(2-thiophen-2-ylethoxy)silane
  • 4-Chloro-6-methoxy-[1,5]naphthyridine-3-carboxylic acid
  • 7-Methyl-1-phenethyl-1H-indole-3-carboxylic acid
  • 2-(4-bromophenyl)-1-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-1H-imidazo[4,5-c]pyridine
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