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2295-58-1

2295-58-1 structure
2295-58-1 structure
  • Name: Flopropione
  • Chemical Name: 1-(2,4,6-trihydroxyphenyl)propan-1-one
  • CAS Number: 2295-58-1
  • Molecular Formula: C9H10O4
  • Molecular Weight: 182.17300
  • Catalog: Chemical reagent Organic reagent Aromatic ketone
  • Create Date: 2018-06-18 14:09:22
  • Modify Date: 2024-01-02 21:00:04
  • Flopropione is a 5-HT1A receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor.

Name 1-(2,4,6-trihydroxyphenyl)propan-1-one
Synonyms Argobyl
Cospanon
Flopropione
Phloropropiophenone
Gasstenon
EINECS 218-942-8
Ecapron
2',4',6'-Trihydroxypropiophenone
MFCD00016456
Phlopropiophenone
1-(2,4,6-trihydroxyphenyl)-1-propanone
Flopropion
Chlonarin
Density 1.372g/cm3
Boiling Point 341.7ºC at 760mmHg
Melting Point 177°C
Molecular Formula C9H10O4
Molecular Weight 182.17300
Flash Point 174.7ºC
Exact Mass 182.05800
PSA 77.76000
LogP 1.39610
Vapour Pressure 4E-05mmHg at 25°C
Index of Refraction 1.618

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UH4429100
CHEMICAL NAME :
Propiophenone, 2',4',6'-trihydroxy-
CAS REGISTRY NUMBER :
2295-58-1
BEILSTEIN REFERENCE NO. :
2096799
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C9-H10-O4
MOLECULAR WEIGHT :
182.19
WISWESSER LINE NOTATION :
2VR BQ DQ FQ

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 :
2380 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
412 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
246 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
578 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
804 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S26-S36/37/39
RTECS UH4429100
HS Code 2914501900

~76%

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Literature: Mizobuchi, Shigeyuki; Sato, Yuko Agricultural and Biological Chemistry, 1985 , vol. 49, # 3 p. 719 - 724

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Literature: Organic Letters, , vol. 6, # 25 p. 4647 - 4650

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Literature: Journal of the Chemical Society, , p. 1255,1264 Journal of the American Chemical Society, , vol. 54, p. 2452 Journal of the South African Chemical Institute, , vol. 26, p. 41,45 Yakugaku Zasshi, , vol. 69, p. 431 Chem.Abstr., , p. 3457

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Literature: Tetrahedron, , vol. 25, p. 707 - 714

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2295-58-1

Literature: Journal of the South African Chemical Institute, , vol. 26, p. 41,45

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2295-58-1

Literature: Bioscience, biotechnology, and biochemistry, , vol. 56, # 11 p. 1769 - 1772
HS Code 2914501900
Summary 2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%