CAS 54-36-4 MFCD00006397-2-Methyl-1,2-Di(Pyridin-3-Yl)Propan-1-One 2-甲基1,2-二(吡啶-3-基)丙-1-酮 TAO{mole}

2-Methyl-1,2-Di(Pyridin-3-Yl)Propan-1-One 2-甲基1,2-二(吡啶-3-基)丙-1-酮

CAS 54-36-4 MFCD00006397

化学结构图

SMILES: CC(C)(C(=O)C1C=NC=CC=1)C1C=NC=CC=1

化学属性

Mol. Formula	C14 H14 N2 O
Mol. Weight	226.27
Melting Point	48-51ºC
Boiling Point
Flash Point	-

别名和识别编码

Chemical Name	2-Methyl-1,2-Di(Pyridin-3-Yl)Propan-1-One
MDL Number	-
CAS Number	54-36-4
Synonym	1,2-Di-3-pyridyl-2-methyl-1-propanone 1-Propanone, 1,2-di-3-pyridyl-2-methyl- 1-Propanone, 2-methyl-1,2-di-3-pyridinyl- 2-Methyl-1,2-bis(3-pyridyl)-1-propane 2-Methyl-1,2-di-3-pyridinyl-1-propanone 2-甲基-1,2-二-3-吡啶基-1-丙酮 2-甲基-1,2-二-3-吡啶基-1-丙酮 Su-4885 美替拉酮 Mepyrapone Methapyrapone Methopirapone Methopyrapone Methopyrinine Methopyrone Metopiron Metopirone Metopyrone Metyrapon Metyrapone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	24888424
EC Number	200-206-2
Beilstein Registry Number	163023
Chemical Name Translation	2-甲基1,2-二(吡啶-3-基)丙-1-酮
Wiswesser Line Notation	T6NJ CX1&1&V- CT6NJ
LabNetwork Molecule ID	LN00239859
Canonical SMILES	-

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H302 Harmful if swallowed 吞食有害
H319 Causes serious eye irritation 严重刺激眼睛

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSUC3050000

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

Signal word Warning

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Hazard Codes Xn

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R22 Harmful if swallowed 吞咽有害

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 531 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CKFRAY Ceskoslovenska Farmacie.  (PNS-Ustredni Expedice a Dovoz Tisku,
   Kafkova 19, 160 00 Prague 6, Czechoslovakia)  V.1-    1952-
   Volume(issue)/page/year: 26,140,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 521 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: 6,827,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 146,395,1964

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Mammal - dog
DOSE/DURATION           : 800 mg/kg/40D (Continuous)
REFERENCE :
   FOBGA8 Folia Biologica (Krakow).  (Ars Polona, POB 1001, 00-068 Warsaw 1,
   Poland)  V.1-    1953-  Volume(issue)/page/year: 27,277,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2160 mg/kg
SEX/DURATION            : female 8-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    1932-  Volume(issue)/page/year:
   39,184,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 270 mg/kg
SEX/DURATION            : female 19-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - respiratory system
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
REFERENCE :
   PEREBL Pediatric Research.  (Williams & Wilkins Co., 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1967-  Volume(issue)/page/year: 20,672,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - dog
DOSE                    : 800 mg/kg
SEX/DURATION            : male 40 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - other effects on male
REFERENCE :
   FOBGA8

Storage condition +4°C 4 4°C 4℃