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

Name
1-(4-Chlorophenyl)-3-cyanoguanidine
EINECS 216-043-5
CAS No. 1482-62-8
Article Data19
CAS DataBase
Density 1.34g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 71.70000
LogP 2.32098

Synthetic route

: 1934-75-4
sodium dicyanamide

: 106-47-8
4-chloro-aniline

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride; sodium nitrite

: 156-62-7
calcium cyanamide

: 506-77-4
cyanogen chloride

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

Conditions

Conditions	Yield
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

Conditions	Yield
(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

Conditions	Yield
With ammonium hydroxide Multistep reaction;

4-chloro-benzenediazodicyanodiamide: 4-chloro-benzenediazodicyanodiamide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

Conditions

Conditions	Yield
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

Conditions	Yield
With water

: 127099-85-8, 780722-26-1
dicyandiamide

: 20265-96-7
p-chloroaniline hydrochloride

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

Conditions

Conditions	Yield
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;

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 103-72-0
phenyl isothiocyanate

: 4-[(4-chlorophenyl)imino]-6-imino-1-phenyl-1,3,5-triazinane-2-thione

Conditions

Conditions	Yield
With sodium methylate In acetone at 80℃; for 0.0833333h; Microwave irradiation;	90%

: 80058-93-1
2,6-diisopropyl-4-phenoxy-1-isothiocyanobenzene

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 4-[(4-chlorophenyl)imino]-1-(2,6-diisopropyl-4-phenoxyphenyl)-6-imino-1,3,5-triazinane-2-thione

Conditions

Conditions	Yield
With sodium methylate In acetone at 80℃; for 0.0666667h; Microwave irradiation;	89%

: 8C2H4O2*C36H54N8

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 8C2H4O2*C84H96Cl6N32

Conditions

Conditions	Yield
In butan-1-ol for 72h; Heating;	84.5%
In butan-1-ol at 90℃; for 72h;	84.5%

: 4506-71-2
ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 86320-01-6
N-(4-Chloro-phenyl)-N'-(4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-guanidine

Conditions

Conditions	Yield
With hydrogenchloride	75%

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 134-20-3
2-carbomethoxyaniline

: 86327-86-8
N-(4-Chloro-phenyl)-N'-(4-oxo-3,4-dihydro-quinazolin-2-yl)-guanidine

Conditions

Conditions	Yield
With hydrogenchloride Heating;	67%

: 110-85-0
piperazine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 5636-92-0
N,N'-bis-(4-chlorophenylamidino)-1,4-piperazinedicarboxamidine

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 120℃; for 2h; Microwave irradiation;	46%

: 110-85-0
piperazine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 41410-43-9
N-(2-chlorophenyl)-N’-cyanoguanidine

: N-(2-chlorophenylamidino)-N’-(4-chlorophenylamidino)-1,4-piperazinedicarboxamidine

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 120℃; for 1h; Microwave irradiation;	36%

...Expand

: 123-75-1
pyrrolidine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: N-(4-chloro-phenyl)-N'-(pyrrolidine-1-carboximidoyl)-guanidine

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate
With ethanol; copper(II) sulfate

: 110-89-4
piperidine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: N-(4-chloro-phenyl)-N'-(piperidine-1-carboximidoyl)-guanidine

Conditions

Conditions	Yield
With 2-ethoxy-ethanol; water; copper(II) sulfate Behandeln des Reaktionsproduktes mit wss. Salzsaeure und mit Natriumsulfid;
With 2-ethoxy-ethanol; water; copper(II) sulfate Behandeln des Reaktionsproduktes mit wss. Salzsaeure und mit Natriumsulfid;

: 110-91-8
morpholine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 18413-33-7
N-(4-chloro-phenyl)-N'-(morpholine-4-carboximidoyl)-guanidine

Conditions

Conditions	Yield
With 2-ethoxy-ethanol; copper(II) sulfate Behandeln des Reaktionsprodukts mit wss. HCl und mit Na2S;

: 107-10-8
propylamine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 49871-96-7
N1-(p-Chlorophenyl)-N5-n-propylbiguanide

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate

: 10467-10-4
ethylmagnesium iodide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

A: 13463-94-0
N-(4-chlorophenyl)cyanamide

B: N-(4-chloro-phenyl)-N'-propionimidoyl-guanidine

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 10467-10-4
ethylmagnesium iodide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: N-(4-chloro-phenyl)-N'-propionyl-guanidine

Conditions

Conditions	Yield
With diethyl ether anschliessend mit wss.Salzsaeure;

: 917-64-6
methyl magnesium iodide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

A: 13463-94-0
N-(4-chlorophenyl)cyanamide

B: N-acetimidoyl-N'-(4-chloro-phenyl)-guanidine

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 5470-75-7
8-amino-6-chloroquinoline

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 1-(6-chloro-[8]quinolyl)-5-(4-chloro-phenyl)-biguanide

Conditions

Conditions	Yield
With hydrogenchloride

: 64-17-5
ethanol

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 69232-13-9
O-ethyl-N-(4-chloro-phenylcarbamimidoyl)-isourea

Conditions

Conditions	Yield
With hydrogenchloride

: 4747-21-1
N-methylpropan-2-amine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 6712-59-0
5-(4-chloro-phenyl)-1-isopropyl-1-methyl-biguanide

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate

: 38256-93-8
N-methyl-N-(2-methoxyethyl)amine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 5-(4-chloro-phenyl)-1-(2-methoxy-ethyl)-1-methyl-biguanide

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate

: 105-04-4
N,N,N'-triethylethanediamine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 1-ethyl-5-(4-chloro-phenyl)-1-(2-diethylamino-ethyl)-biguanide

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate

: 627-35-0
methyl-n-propylamine

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 5-(4-chloro-phenyl)-1-methyl-1-propyl-biguanide

Conditions

Conditions	Yield
With ethanol; copper(II) sulfate

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 7003-32-9
2-METHYLCYCLOHEXYLAMINE

: 1-(4-chloro-phenyl)-5-(2-methyl-cyclohexyl)-biguanide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 6850-35-7
3-methylcyclohexan-1-amine

: 1-(4-chloro-phenyl)-5-(3-methyl-cyclohexyl)-biguanide

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 926-62-5
isobutylmagnesium bromide

A: 13463-94-0
N-(4-chlorophenyl)cyanamide

B: N-(4-chloro-phenyl)-N'-isovalerimidoyl-guanidine

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 925-90-6
ethylmagnesium bromide

A: 13463-94-0
N-(4-chlorophenyl)cyanamide

B: N-(4-chloro-phenyl)-N'-propionimidoyl-guanidine

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 920-39-8
isopropylmagnesium bromide

A: 13463-94-0
N-(4-chlorophenyl)cyanamide

B: N-(4-chloro-phenyl)-N'-isobutyrimidoyl-guanidine

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 593-56-6
N-methoxylamine hydrochloride

: 1-(4-chloro-phenyl)-5-methoxy-biguanide

Conditions

Conditions	Yield
With potassium hydroxide; copper(II) sulfate

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 142-04-1
aniline hydrochloride

: 66491-64-3
1-(4-chloro-phenyl)-5-phenyl-biguanide

Conditions

Conditions	Yield
With 1,4-dioxane

: 1482-62-8
1-(4-chlorophenyl)-3-cyanoguanidine

: 23576-78-5
N-isopropylaniline hydrochloride

: 5-(4-chloro-phenyl)-1-isopropyl-1-phenyl-biguanide

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.

Product Name

1-(4-Chlorophenyl)-3-cyanoguanidine

Synthetic route

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

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