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1-(4-Chlorophenyl)-3-cyanoguanidine

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Name

1-(4-Chlorophenyl)-3-cyanoguanidine

EINECS 216-043-5
CAS No. 1482-62-8 Density 1.34g/cm3
PSA 71.70000 LogP 2.32098
Solubility N/A Melting Point 202-204 °C
Formula C8H7ClN4 Boiling Point 340.2 °C at 760 mmHg
Molecular Weight 194.623 Flash Point 159.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1482-62-8 (1-(4-Chlorophenyl)-3-cyanoguanidine) Hazard Symbols N/A
Synonyms

Guanidine,1-(p-chlorophenyl)-3-cyano- (6CI,7CI,8CI);1-Cyano-3-(4-chlorophenyl)guanidine;N-(4-Chlorophenyl)-N'-cyanoguanidine;N-(p-Chlorophenyl)dicyandiamide;N1-(4-Chlorophenyl)-N3-cyanoguanidine;NSC 74463;p-Chlorophenylcyanoguanidine;p-Chlorophenyldicyandiamide;

Article Data 19

1-(4-Chlorophenyl)-3-cyanoguanidine Synthetic route

1934-75-4

sodium dicyanamide

106-47-8

4-chloro-aniline

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
oxonium; acetic acid In water at 40℃; Rate constant; Mechanism;100%
With hydrogenchloride In water at 60℃; for 3h;87%
Stage #1: sodium dicyanamide; 4-chloro-aniline With hydrogenchloride In water at 50 - 90℃; for 18h;
Stage #2: With sodium hydrogencarbonate In water for 0.25h;
78.3%
3713-20-0

N-(4-chloro-phenylazo)-N'-cyano-guanidine

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
With hydrogenchloride; acetone
With hydrogenchloride; 1-ethoxyethanol
5304-59-6

4-chlorophenylbiguanide

A

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

B

58247-24-8

1-(4-chlorophenyl)-3-amidinourea

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite
156-62-7

calcium cyanamide

506-77-4

cyanogen chloride

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
With water anschliessend mit einer aus 4-Chlor-anilin und wss.Salzsaeure bereiteten Loesung;
15760-26-6

3-cyano-2-methylisothiourea

106-47-8

4-chloro-aniline

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
(i) aq. NaOH, iPrOH, (ii) /BRN= 471359/, aq. HCl; Multistep reaction;
20265-96-7

p-chloroaniline hydrochloride

1934-75-4

sodium dicyanamide

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

106-47-8

4-chloro-aniline

10191-60-3

dimethyl N-cyanodithioiminocarbonate

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
With ammonium hydroxide Multistep reaction;
4-chloro-benzenediazodicyanodiamide

4-chloro-benzenediazodicyanodiamide

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
With hydrogenchloride Zersetzen des Reaktionsproduktes mit Wasser;
20265-96-7

p-chloroaniline hydrochloride

sodium-compound of dicyanamide

sodium-compound of dicyanamide

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
With water
20265-96-7

p-chloroaniline hydrochloride

1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

Conditions
ConditionsYield
Stage #1: p-chloroaniline hydrochloride With sodium nitrite In water at 10℃; for 0.5h;
Stage #2: dicyandiamide With sodium carbonate In water at 20 - 60℃; for 2h; Temperature;

1-(4-Chlorophenyl)-3-cyanoguanidine Specification

The 1-(4-Chlorophenyl)-3-cyanoguanidine, with CAS registry number 1482-62-8, belongs to the following product category: Benzene series. Its systematic name and its IUPAC name are the same, which is 2-(4-chlorophenyl)-1-cyanoguanidine. And its classification code is Drug / Therapeutic Agent. What's more, its EINECS is 216-043-5.

Physical properties of 1-(4-Chlorophenyl)-3-cyanoguanidine: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 13.17; (7)ACD/KOC (pH 5.5): 220.25; (8)ACD/KOC (pH 7.4): 220.25; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.63 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 51.4 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 20.37×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 58.37 kJ/mol; (19)Vapour Pressure: 8.74E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/N=C(\N)NC#N)cc1
(2)InChI: InChI=1/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
(3)InChIKey: JMEJOUCPQDFPFK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
(5)Std. InChIKey: JMEJOUCPQDFPFK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00438,
rat LDLo unreported 150mg/kg (150mg/kg)   Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.

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