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| CAS No.: | 102-06-7 |
|---|---|
| Name: | 1,3-Diphenylguanidine |
| Molecular Structure: | |
|
|
|
| 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 |
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| 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; |
| 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% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; copper(l) iodide; sarcosine In acetonitrile at 90 - 100℃; for 20h; Ullmann reaction; Inert atmosphere; | 81% |
- 102-06-7
diphenylguanidine
| Conditions | Yield |
|---|---|
| With acetic acid; zinc In dichloromethane at 20℃; Reduction; ultrasonication; | 78% |
| 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% |
| 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 | Yield |
|---|---|
| In N,N-dimethyl-formamide at 90℃; for 12h; | A 15% B n/a |
- 20028-19-7
N-(N,N'-diphenylguanyl)-benzamidine
- 102-06-7
diphenylguanidine
| Conditions | Yield |
|---|---|
| With potassium carbonate |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With water at 80 - 85℃; |
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- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
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- 68-19-9Cyanocobalamin
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Chemistry
Molecular Structure of 1,3-Diphenylguanidine (CAS NO.102-06-7):
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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 NOx.
Hazard Codes: 
Xn,
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.