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125628-97-9

125628-97-9 structure
125628-97-9 structure
  • Name: Ro 41-0960
  • Chemical Name: (3,4-dihydroxy-5-nitrophenyl)-(2-fluorophenyl)methanone
  • CAS Number: 125628-97-9
  • Molecular Formula: C13H8FNO5
  • Molecular Weight: 277.20500
  • Catalog: Signaling Pathways Metabolic Enzyme/Protease COMT
  • Create Date: 2017-02-03 18:02:54
  • Modify Date: 2025-09-03 05:25:43
  • Ro 41-0960 is a selective catechol-O-methyltransferase(COMT) inhibitor[1].

Name (3,4-dihydroxy-5-nitrophenyl)-(2-fluorophenyl)methanone
Synonyms OR 1139
3,4-dihydroxy-5-nitrophenyl 2-fluorophenyl ketone
(3,4-Dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
2'-fluoro-3,4-dihydroxy-5-nitrobenzophenone
3,4-dihydroxy-5-nitro-2'-fluorobenzophenone
Ro 41-0960
2'-Fluoro-3,4-dihydroxy-5-nitrobenzophenone
Methanone,(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)
Density 1.536g/cm3
Boiling Point 489.9ºC at 760 mmHg
Molecular Formula C13H8FNO5
Molecular Weight 277.20500
Flash Point 250.1ºC
Exact Mass 277.03900
PSA 103.35000
LogP 2.89930
Vapour Pressure 3.2E-10mmHg at 25°C
Index of Refraction 1.656

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PC4952300
CHEMICAL NAME :
Methanone, (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)-
CAS REGISTRY NUMBER :
125628-97-9
LAST UPDATED :
199509
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H8-F-N-O5
MOLECULAR WEIGHT :
277.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
312 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HCACAV Helvetica Chimica Acta. (Verlag Helvetica Chimica Acta, Postfach, CH-4002 Basel, Switzerland) V.1- 1918- Volume(issue)/page/year: 72,952,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
136 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 69,64,1991
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
RTECS PC4952300
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