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Name	4-Chlorodiazepam	EINECS	N/A
CAS No.	14439-61-3	Density	1.35g/cm³
PSA	32.67000	LogP	3.30780
Solubility	N/A	Melting Point	160-163 °C
Formula	C16H12 Cl2 N2 O	Boiling Point	517.1°Cat760mmHg
Molecular Weight	319.19	Flash Point	266.6°C
Transport Information	N/A	Appearance	N/A
Safety	Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and Cl⁻.	Risk Codes	22
Molecular Structure		Hazard Symbols
Synonyms	2H-1,4-Benzodiazepin-2-one,7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl- (7CI,8CI); 4'-Chlorodiazepam;7-Chloro-1-methyl-5-(p-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one;7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one;Chlordiazepam; Ro 05-4864; Ro 5-4864	Article Data	7

4-Chlorodiazepam Synthetic route

: 99833-82-6
N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylchloroacetamide

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
With hexamethylenetetramine In methanol; water for 22h; Heating;	94%

: 99833-83-7
N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylphthalimidoacetate

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
With hydrazine In methanol; water at 60℃; for 3h;	80%

: 5571-60-8
7-chloro-5-(4-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

: 74-88-4
methyl iodide

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
With sodium methylate In toluene at 20℃; for 168h;	37%

: 724-07-2
3-(4-chlorobenzene)-5-chloro-2,1-benzoisoxazole

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 2: 95 percent / CHCl3 / 8 h / Heating 3: 80 percent / N2H4 / methanol; H2O / 3 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 2: 86 percent / benzene / 1) 10 deg C, 50 min. (addition); 2) 90 min. 3: 94 percent / hexamethylenetetramine / methanol; H2O / 22 h / Heating View Scheme

: 78961-59-8
5,4'-dichloro-2-methylaminobenzophenone

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / CHCl3 / 8 h / Heating 2: 80 percent / N2H4 / methanol; H2O / 3 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1: 86 percent / benzene / 1) 10 deg C, 50 min. (addition); 2) 90 min. 2: 94 percent / hexamethylenetetramine / methanol; H2O / 22 h / Heating View Scheme

: 100-00-5
4-chlorobenzonitrile

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 43 percent / KOH / methanol; benzene / 3 h / Ambient temperature 2: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 3: 95 percent / CHCl3 / 8 h / Heating 4: 80 percent / N2H4 / methanol; H2O / 3 h / 60 °C View Scheme
Multi-step reaction with 4 steps 1: 43 percent / KOH / methanol; benzene / 3 h / Ambient temperature 2: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 3: 86 percent / benzene / 1) 10 deg C, 50 min. (addition); 2) 90 min. 4: 94 percent / hexamethylenetetramine / methanol; H2O / 22 h / Heating View Scheme

: 140-53-4
p-chlorobenzyl cyanide

: 14439-61-3
4-chlorodiazepam

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 43 percent / KOH / methanol; benzene / 3 h / Ambient temperature 2: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 3: 95 percent / CHCl3 / 8 h / Heating 4: 80 percent / N2H4 / methanol; H2O / 3 h / 60 °C View Scheme
Multi-step reaction with 4 steps 1: 43 percent / KOH / methanol; benzene / 3 h / Ambient temperature 2: 2) Fe, aq. HCl / 1) 5h, 80 deg C; 2) ethanol, water, 3 h, reflux 3: 86 percent / benzene / 1) 10 deg C, 50 min. (addition); 2) 90 min. 4: 94 percent / hexamethylenetetramine / methanol; H2O / 22 h / Heating View Scheme

4-Chlorodiazepam Chemical Properties

The Molecular formula of 4-Chlorodiazepam (CAS NO.14439-61-3):

IUPAC: 7-Chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Molecular formula:C₁₆H₁₂C_l2N₂O
Formula Weight: 319.19 g/mol
CAS:14439-61-3
Index of Refraction: 1.647
Flash Point: 266.6 °C
Density: 1.35 g/cm³Flash Point: 266.6 °C
Boiling Point: 517.1 °C at 760 mmHg

4-Chlorodiazepam Toxicity Data With Reference

The toxicity of 4-Chlorodiazepam (CAS NO.14439-61-3):
Mutagenicity Data:
Test type:Unscheduled DNA synthesisTEST SYSTEM : Rodent - rat Cells - not otherwise specified
Dose/Time:10 nmol/L
Reference:CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 49,115,1990

4-Chlorodiazepam Safety Profile

The Hazard Codes of 4-Chlorodiazepam (CAS NO.14439-61-3):
Harmful Xn
Risk Statements:R22:Harmful if swallowed.
Safety Statements:R22:Harmful if swallowed.
Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and Cl⁻.

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