8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Modify Date: 2024-01-09 17:35:38

8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine structure	Common Name	8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
	CAS Number	115764-99-3	Molecular Weight	419.32800
	Density	1.46g/cm3	Boiling Point	601.7ºC at 760 mmHg
	Molecular Formula	C₁₉H₁₆Cl₂N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	317.7ºC

Name	8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Density	1.46g/cm3
Boiling Point	601.7ºC at 760 mmHg
Molecular Formula	C₁₉H₁₆Cl₂N₄OS
Molecular Weight	419.32800
Flash Point	317.7ºC
Exact Mass	418.04200
PSA	77.60000
LogP	4.23230
Vapour Pressure	1.97E-14mmHg at 25°C
Index of Refraction	1.7

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5472164

CHEMICAL NAME :: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3-chloro-4-methoxyphenyl)- 1-((methylthio)methyl)-

CAS REGISTRY NUMBER :: 115764-99-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H16-Cl2-N4-O-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 53,361,1988

ethyl(methylthi...

CAS#:74085-88-4

7-chloro-5-(3-c...

CAS#:115103-04-3

~89%

8-chloro-6-(3-c...

CAS#:115764-99-3

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372

2-amino-5,3'-di...

CAS#:94100-09-1

8-chloro-6-(3-c...

CAS#:115764-99-3

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372

5-chloro-3-(3-c...

CAS#:94100-10-4

8-chloro-6-(3-c...

CAS#:115764-99-3

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372

7-chloro-5-(3-c...

CAS#:105278-83-9

8-chloro-6-(3-c...

CAS#:115764-99-3

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372

5,3'-dichloro-4...

CAS#:105278-84-0

8-chloro-6-(3-c...

CAS#:115764-99-3

Literature: Vejdelek, Zdenek; Holubek, Jiri; Budesinsky, Milos; Ryska, Miroslav; Svatek, Emil; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1988 , vol. 53, # 2 p. 361 - 372

Precursor 4
CAS#:74085-88-4 ethyl(methylthi... CAS#:115103-04-3 7-chloro-5-(3-c... CAS#:105278-83-9 7-chloro-5-(3-c... CAS#:105278-84-0 5,3'-dichloro-4...
DownStream 0

Dichloromethane
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Polyacrylic acid
CAS#:9003-01-4

sodium carbonate
CAS#:497-19-8

Silicon dioxide
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Triethanolamine
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Demeton
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Water
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4-(4-Piperidinyl)morpholine dihydrochloride
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Diclofenac sodium
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Budesonide
CAS#:51372-29-3

8-chloro-6-(3-chloro-4-methoxyphenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream