CAS No.102-06-7,1,3-Diphenylguanidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	102-06-7
Name:	1,3-Diphenylguanidine
Article Data:	54

Formula:	C₁₃H₁₃N₃
Molecular Weight:	211.266
Synonyms:	N,N Diphenyl guanidine;Chemicals & Rubber Accelerator DPG;Chemicals & Rubber Accelerator DPG (Dephenyl Guanidine);Accelerator DPG(D);Vulkacit D;N,N-Diphenylguanidine;Rhenogran DPG 80P;Perkacit DP;Chlorostain BR;Sanceler D;s-Diphenylguanidine;Melaniline;(amino-anilino-methylidene)-phenyl-azanium;1,2-diphenylguanidine;Accelerator D;Diphenylguanidine;Vulkazit;Guanidine, 1, 3-diphenyl-;Rubber Accelerator DPG (D);N-Oxydiethylene-2-Benzothiazole Sulfenamide (NOBS);Accelerator DPG (D);Accelerator DPG;Diphenyl guanidine;Accelerator D;Diphenyl guanidine;Rubber accelerator DPG;N,N′-diphenylguanidine;
EINECS:	203-002-1
Density:	1.1 g/cm³
Melting Point:	146-148 °C(lit.)
Boiling Point:	338.5 °C at 760 mmHg
Flash Point:	158.5 °C
Solubility:	slightly soluble in water
Appearance:	White to cream-colored chalky powder
Hazard Symbols:	Xn,N
Risk Codes:	22-36/37/38-51/53-62
Safety:	26-36/37/39-61
Transport Information:	UN 3077 9/PG 3
PSA:	47.91000
LogP:	3.39110

Synthetic route

: 102-08-9
N,N-diphenylthiourea

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With ammonium hydroxide; oxygen; copper diacetate In ethyl acetate; acetone at 60℃; under 1875.19 Torr; for 0.05h; Reagent/catalyst; Temperature; Pressure; Solvent;	96.1%
With ammonia; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water; acetonitrile at 20℃;	90%
With lead; potassium hydroxide; ammonia; water dann mit verd.Salzsaeure;

: 591-50-4
iodobenzene

: 506-93-4
guanidine nitrate

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; sarcosine In acetonitrile at 70℃; for 8h; Ullmann reaction; Inert atmosphere;	90%
With potassium phosphate; copper(l) iodide; N,N-diethylsalicylamide In acetonitrile at 80℃; Inert atmosphere;	83%

: 108-86-1
bromobenzene

: 506-93-4
guanidine nitrate

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; sarcosine In acetonitrile at 90 - 100℃; for 20h; Ullmann reaction; Inert atmosphere;	81%

: (1,3-diphenyltetrazolium-5-yl)anilide

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With acetic acid; zinc In dichloromethane at 20℃; Reduction; ultrasonication;	78%

: 591-50-4
iodobenzene

: 1-(4-methoxybenzyl)guanidine hemisulfate

A: 102-06-7
diphenylguanidine

B: 1241493-92-4
1-(4-methoxybenzyl)-3-phenylguanidine

Conditions

Conditions	Yield
With potassium phosphate; copper(I) thiophene-2-carboxylate; D-Prolin In acetonitrile at 100℃; for 3h; Modified Ullmann reaction; Inert atmosphere;	A 15% B 71%

...Expand

: 62-53-3
aniline

: 3674-54-2
tetrabutylammonium thiocyanate

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
Multistep reaction;	47%

: 62-53-3
aniline

: 123564-74-9
N-phenyl-imidazole-1-carboxamidine

A: 102-06-7
diphenylguanidine

B: 1973-05-3
triphenyl melamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 90℃; for 12h;	A 15% B n/a

...Expand

: 20028-19-7
N-(N,N'-diphenylguanyl)-benzamidine

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With potassium carbonate

: 5067-80-1
N-benzoyl-N',N''-diphenyl-guanidine

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With potassium hydroxide

: 506-68-3
bromocyane

: 62-53-3
aniline

: 102-06-7
diphenylguanidine

Conditions

Conditions	Yield
With water at 80 - 85℃;

Raw Materials

103-85-5

506-68-3

622-34-4

142-04-1

506-77-4

506-93-4

Downstream Products

103-84-4

102-07-8

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Chemistry

Molecular Structure of 1,3-Diphenylguanidine (CAS NO.102-06-7):

IUPAC Name: 1,2-diphenylguanidine
Empirical Formula: C₁₃H₁₃N₃
Molecular Weight: 211.2624
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 18.84Å²
Index of Refraction: 1.604
Molar Refractivity: 65.14 cm³
Molar Volume: 189.2 cm³
Surface Tension: 46.8 dyne/cm
Density: 1.11 g/cm³
Flash Point: 158.5 °C
Enthalpy of Vaporization: 58.18 kJ/mol
Boiling Point: 338.5 °C at 760 mmHg
Vapour Pressure: 9.81E-05 mmHg at 25°C
Melting point: 146-148 °C(lit.)
Water Solubility: slightly soluble
Merck: 14,3324
BRN: 1875653
InChI
InChI=1/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
Smiles
c1(NC(Nc2ccccc2)=N)ccccc1
EINECS: 203-002-1
Stability: Stable. Combustible. Incompatible with strong oxidizing agents. Moisture sensitive
Product Categories: Industrial/Fine Chemicals; Organics; DIO - DIZCertified Reference Materials (CRMs);Alphabetic; Application CRMs; Titrimetry; Guanidines; Nitrogen Compounds; Organic Building Blocks

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	25mg/kg (25mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TETANY	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 143, Pg. 815, 1949.
guinea pig	LD50	oral	250mg/kg (250mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 974, 1986.
guinea pig	LDLo	subcutaneous	200mg/kg (200mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TETANY	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 143, Pg. 815, 1949.
mammal (species unspecified)	LDLo	oral	250mg/kg (250mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.
mouse	LD50	intraperitoneal	25mg/kg (25mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	150mg/kg (150mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: ATAXIA	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
mouse	LD50	unreported	258mg/kg (258mg/kg)	BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(7), Pg. 35, 1978.
rabbit	LD50	oral	250mg/kg (250mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 974, 1986.
rabbit	LD50	skin	> 794mg/kg (794mg/kg)		National Toxicology Program Technical Report Series. Vol. NIH-95-3933,
rabbit	LD50	unreported	246mg/kg (246mg/kg)	BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(7), Pg. 35, 1978.
rat	LD50	intraperitoneal	75mg/kg (75mg/kg)		Medycyna Pracy. Industrial Medicine. Vol. 16, Pg. 35, 1965.
rat	LD50	oral	323mg/kg (323mg/kg)		National Toxicology Program Technical Report Series. Vol. NIH-95-3933,
rat	LD50	unreported	323mg/kg (323mg/kg)	BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(7), Pg. 35, 1978.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Harmful Xn, Dangerous N
Risk Statements :
R22:Harmful if swallowed.;
R36/37/38:Irritating to eyes, respiratory system and skin.;
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.;
R62:Possible risk of impaired fertility.;
Safety Statements :
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.;
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.;
S61:Avoid release to the environment. Refer to special instructions / Safety data sheets.;
RIDADR: UN 3077 9/PG 3

Specification

1,3-Diphenylguanidine , with CAS number of 102-06-7, can be called 1,3-Diphenylguanidine ; Dwufenyloguanidyna ; Diphenylguanidine ; DPG accelerator ; Guanidine, N,N'-diphenyl- ; Guanidine, 1,3-diphenyl- ; N,N'-Diphenylguanidine ; s-Diphenylguanidine ; Vulkazit . It is a white to cream-colored chalky powder. Bitter taste and slight odor. 1,3-Diphenylguanidine (CAS NO.102-06-7) behaves as an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Besides 1,3-Diphenylguanidine (CAS NO.102-06-7) is incompatible with strong oxidizers.