Basic information

Product Name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one
Synonyms: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one;Flutemazepam;SAS 646;1,3-Dihydro-7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one;1-Methyl-3-hydroxy-5-(2-fluorophenyl)-7-chloro-1H-1,4-benzodiazepine-2(3H)-one;7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
CAS NO:52391-89-6
Molecular Formula: C₁₆H₁₂ClFN₂O₂
Molecular Weight: 318.7300832
EINECS: 257-892-1
Product Categories: N/A
Mol File: 52391-89-6.mol

Chemical Properties

Melting Point: 162-164 °C(Solv: cyclohexane (110-82-7))
Boiling Point: 550.3°Cat760mmHg
Flash Point: 286.6°C
Appearance: /
Density: 1.4g/cm³
Vapor Pressure: 6.08E-13mmHg at 25°C
Refractive Index: 1.641
Storage Temp.: N/A
Solubility: N/A
PKA: 11.58±0.40(Predicted)
CAS DataBase Reference: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one(CAS DataBase Reference)
NIST Chemistry Reference: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one(52391-89-6)
EPA Substance Registry System: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one(52391-89-6)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 52391-89-6(Hazardous Substances Data)

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52391-89-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 52391-89-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,3,9 and 1 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 52391-89:
(7*5)+(6*2)+(5*3)+(4*9)+(3*1)+(2*8)+(1*9)=126
126 % 10 = 6
So 52391-89-6 is a valid CAS Registry Number.

InChI:InChI=1/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3

52391-89-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one

1.2 Other means of identification

Product number	-
Other names	FLUTEMAZEPAM

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:52391-89-6 SDS

52391-89-6Upstream product

52391-89-6Downstream Products

62659-55-6 7-chloro-3-fluoro-5-(2-fluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

52391-89-6Relevant academic research and scientific papers

3-FLUOROBENZODIAZEPINES

Middleton, W. J.,Bingham, E. M.,Smith, D. H.

, p. 557 - 572 (2007/10/02)

Benzodiazepines that bear a fluorine substituent in the metabolically active C-3 position were prepared by the reaction of diethylaminosulfur trifluoride (DAST) with the corresponding 3-hydroxybenzodiazepines.These products are surprisingly stable to hydrolysis and possess potent antianxiety and muscle-relaxing properties.

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