3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-

Modify Date: 2025-10-04 05:51:35

3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL- structure	Common Name	3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-
	CAS Number	76458-47-4	Molecular Weight	313.78100
	Density	1.27g/cm3	Boiling Point	479.4ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₆ClN₃O	Melting Point	N/A
	MSDS	N/A	Flash Point	243.7ºC

Name	7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
Synonym	More Synonyms

Density	1.27g/cm3
Boiling Point	479.4ºC at 760 mmHg
Molecular Formula	C₁₇H₁₆ClN₃O
Molecular Weight	313.78100
Flash Point	243.7ºC
Exact Mass	313.09800
PSA	48.19000
LogP	1.97220
Index of Refraction	1.638
InChIKey	PTHJLUZPRXMVTP-UHFFFAOYSA-N
SMILES	CN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE9735000

CHEMICAL NAME :: 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-

CAS REGISTRY NUMBER :: 76458-47-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H16-Cl-N3-O

MOLECULAR WEIGHT :: 313.81

WISWESSER LINE NOTATION :: T67 GN JN HHJ CG HN1&1 IQ KR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 37,343,1982

3-Acetoxy-7-chl...

CAS#:76458-41-8

~85%

3H-1,4-BENZODIA...

CAS#:76458-47-4

Literature: Gatta; Del Giudice; Di Simone; Settimj Journal of Heterocyclic Chemistry, 1980 , vol. 17, # 5 p. 865 - 868

7-Chloro-2-(dim...

CAS#:3693-14-9

3H-1,4-BENZODIA...

CAS#:76458-47-4

Literature: Gatta; Del Giudice; Di Simone; Settimj Journal of Heterocyclic Chemistry, 1980 , vol. 17, # 5 p. 865 - 868

3-acetossi-7-cl...

CAS#:82212-32-6

3H-1,4-BENZODIA...

CAS#:76458-47-4

Literature: Del Giudice; Gatta; Pandolfi; Settimj Farmaco, Edizione Scientifica, 1982 , vol. 37, # 5 p. 343 - 352

2H-1,4-Benzodia...

CAS#:1824-74-4

3H-1,4-BENZODIA...

CAS#:76458-47-4

Literature: Del Giudice; Gatta; Pandolfi; Settimj Farmaco, Edizione Scientifica, 1982 , vol. 37, # 5 p. 343 - 352

Precursor 4
CAS#:76458-41-8 3-Acetoxy-7-chl... CAS#:3693-14-9 7-Chloro-2-(dim... CAS#:82212-32-6 3-acetossi-7-cl... CAS#:1824-74-4 2H-1,4-Benzodia...
DownStream 0

7-Chloro-2-dimethylamino-3-hydroxy-5-phenyl-3H-1,4-benzodiazepine

3H-1,4-BENZODIAZEPIN-3-OL,7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL

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Product Name: 3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-
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3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.