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| CAS No.: | 54-95-5 |
|---|---|
| Name: | Pentetrazol |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C6H10 N4 |
| Molecular Weight: | 138.172 |
| Synonyms: | 1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene;1,5-Pentamethylenetetrazole; 6,7,8,9-Tetrahydro-5H-tetrazoloazepine;7,8,9,10-Tetrazabicyclo[5.3.0]-8,10-decadiene; Angiazol; Cardiazol; Cardiazole;Cardiol; Cenalene M; Cenazol; Cerebro-nicin; Coranormal; Coranormol; Corasol;Corazol; Corazole; Corazole (analeptic); Corisan; Corsedrol; Cortis; Corvasol;Delzol W; Deumacard; Gewazol; Korazol; Korazole; Leptazol; Leptazole; Metrazol;Metrazole; NSC 5729; NSC 66489; PTZ; Pentamethylenetetrazole; Pentavet;Pentazol; Pentetrazol; Pentetrazole; Pentrazol; Pentrolone; Pentrozol;Pentylenetetrazol; Pentylenetetrazole; Phrenazol; Tetracor; Tetrazol;Tetrazole, (1,5-pentanediyl)-; Ventrazol; Yetrazol; a,b-Cyclopentamethylenetetrazole |
| EINECS: | 200-219-3 |
| Density: | 1.42g/cm3 |
| Melting Point: | 59-61 ºC |
| Boiling Point: | 194 ºC (12 mmHg) |
| Flash Point: | 194°C/12mm |
| Solubility: | Toxicity data (The meaning"> substantial
Stability
Toxicology
Toxicity data |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
|
| Risk Codes: | R25;R36/37/38 |
| Safety: | A human poison by ingestion and intravenous routes. Poison experimentally by ingestion, intravenous, intraperitoneal, subcutaneous, rectal, and parenteral routes. When heated to decomposition it emits toxic fumes of NOx. |
| Transport Information: | UN 2811 |
| PSA: | 43.60000 |
| LogP: | 0.39950 |
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| Conditions | Yield |
|---|---|
| With sodium azide; tetrachlorosilane In acetonitrile for 20h; Ambient temperature; | 95% |
| With aluminium trichloride; sodium azide at 50℃; for 0.2h; | 95% |
| With tin(II) chloride dihdyrate; trimethylsilylazide In neat (no solvent) at 55℃; for 16h; Schmidt Reaction; Inert atmosphere; Sealed tube; | 87% |
- 80053-69-6
cyclohexanone oxime methanesulfonate
- 54-95-5
pentetrazole
| Conditions | Yield |
|---|---|
| With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 24h; Heating; | 94% |
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; trimethylsilylazide at 20℃; for 2h; Schmidt Reaction; Inert atmosphere; Sealed tube; | A 91% B 4% |
| Conditions | Yield |
|---|---|
| With sodium azide; tetrachlorosilane In acetonitrile at 20 - 82℃; for 8h; | 88% |
| With trimethylsilylazide; tin(IV) chloride In dichloromethane for 22h; Ambient temperature; | 72% |
| With tetrahydrofuran; aluminium trichloride; sodium azide |
- 29456-22-2
cyclohexanone oxime benzoyl ester
- 54-95-5
pentetrazole
| Conditions | Yield |
|---|---|
| With trimethylsilyl trifluoromethanesulfonate In acetonitrile for 24h; Heating; | 84% |
| Conditions | Yield |
|---|---|
| With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene for 16h; Solvent; Beckmann Rearrangement; Reflux; stereospecific reaction; | 81% |
| With chlorosulfonic acid; sodium azide | |
| With sodium azide; trichlorophosphate |
| Conditions | Yield |
|---|---|
| With trimethylsilylazide; trichlorophosphate In acetonitrile at 180℃; for 0.133333h; Microwave irradiation; | 76% |
| Conditions | Yield |
|---|---|
| With aluminum tri-bromide; trimethylsilylazide at 35℃; for 21h; Temperature; Schmidt Reaction; Inert atmosphere; | A 18% B 66% |
- 4648-54-8
trimethylsilylazide
- 108-94-1
cyclohexanone
A
- 54-95-5
pentetrazole
B
- 69664-68-2
1-azido-1-(trimethylsiloxy)cyclohexane
| Conditions | Yield |
|---|---|
| With tin(ll) chloride 1.) 0 deg C 2.) rt., 20 h; | A 2% B 61% |
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid; tris-(2-chloro-ethyl)-amine | |
| With sodium azide; trichlorophosphate |
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Chemistry
Chemical Name: Pentetrazol
IUPAC NAME: 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine
CAS No.: 54-95-5
EINECS: 200-219-3
RTECS: XF8225000
RTECS Class: Drug; Human Data
Molecular Formula: C6H10N4
Molecular Weight: 138.17 g/mol
Melting Point: 59-61 °C(lit.)
Density: 1.42 g/cm3
Flash Point: 159 °C
Boiling Point: 339.3 °C at 760 mmHg
Sensitive: Hygroscopic
Following is the structure of 1,5-Pentamethylenetetrazole (CAS No.54-95-5):
The chemical synonymous of 1,5-Pentamethylenetetrazole (CAS No.54-95-5) are Cardiazole ; Metrazole ; 1,5-Pentamethylenetetrazole ; 1,5-Pentamethylene-1h-Tetrazole ; 6,7,8,9-Tetrahydro-5h-Tetrazolo-[1,5-A]Azepine ; 6,7,8,9-Tetrahydro-5h-Tetrazoloazepine ; Alpha,Beta-Cyclopentamethylenetetrazole ; Pentamethylenetetrazole
Toxicity Data With Reference
| 1. | orl-man LDLo:147 mg/kg | 85DCAI Poisoning; Toxicology, Symptoms, Treatments. 2 (1970),73. | ||
| 2. | ivn-man LDLo:29 mg/kg | 85DCAI Poisoning; Toxicology, Symptoms, Treatments. 2 (1970),73. | ||
| 3. | orl-rat LD50:140 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 13 (1961),244. | ||
| 4. | ipr-rat LD50:62 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),185. | ||
| 5. | scu-rat LD50:85 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),185. | ||
| 6. | ivn-rat LD50:45 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 135 (1962),9. | ||
| 7. | rec-rat LD50:8 mg/kg AACRAT 46,395,67 | |||
| 8. | orl-mus LD50:88 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 128 (1960),176. | ||
| 9. | ipr-mus LD50:71 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 128 (1960),176. | ||
| 10. | scu-mus LD50:80 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),190. | ||
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Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A human poison by ingestion and intravenous routes. Poison experimentally by ingestion, intravenous, intraperitoneal, subcutaneous, rectal, and parenteral routes. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
T
Risk Statements about 1,5-Pentamethylenetetrazole (CAS No.54-95-5):
R25 :Toxic if swallowed.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements about 1,5-Pentamethylenetetrazole (CAS No.54-95-5):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Attention:
1. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
2. Handling: Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Do not allow contact with water. Keep from contact with moist air and steam.