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HCID 7549Erstellt: 31. Oktober 2026

3,7-Dinitroso-1,3,5,7-tetraazabi-cyclo(3.3.1)nonan

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https://huagongshe.com/de/chemical/7549

Molekülstruktur von 3,7-Dinitroso-1,3,5,7-tetraazabi-cyclo(3.3.1)nonan

Identifikatoren & physikalische Daten

CAS No.101-25-7
SummenformelC5H10N6O2
Durchschnittliche Molmasse186,17 g/mol
Monoisotopische Masse186,08652358 g/mol
SMILESO=NN1CN2CN(C1)CN(N=O)C2
InChIKeyMWRWFPQBGSZWNV-UHFFFAOYSA-N
PubChem CID7549
ChEBICHEBI:82457
EC No.202-928-3
DTXSIDDTXSID5020526
Lokaler Name3,7-Dinitroso-1,3,5,7-tetraazabi-cyclo(3.3.1)nonan

Chemische & physikalische Eigenschaften

XLogP0,3
Polarare Oberfläche (TPSA)71,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren8
Frei drehbare Bindungen0
Schwere Atome13
Formalladung0
Komplexität189
StoffklassenNitrogen Compounds -> Nitrosamines
Color/FormLIGHT CREAM-COLORED POWDERLIGHT-YELLOW NEEDLES
LöslichkeitSOL IN DIMETHYL FORMAMIDESOMEWHAT SOL IN PYRIDINESOMEWHAT SOL IN METHYL ETHYL KETONE & ACETONITRILESLIGHTLY SOL IN WATER (ABOUT 1%), METHANOL, ETHANOLSLIGHTLY SOL IN BENZENE, ETHER, ACETONEREADILY SOL DIMETHYL SULFOXIDE9.901g/L(temperature not stated)
Physical DescriptionFlammable explosive solid.Dry PowderCream-colored solid[Hawley] Off-white powder[MSDSonline]
Stability/Shelf LifeHYDROLYZES IN PRESENCE OF DILUTE HYDROCHLORIC ACID @ 100 °C
Schmelzpunkt207°C
Siedepunkt320.65°C (rough estimate)
Dichte1.4132 (rough estimate)
Dampfdruck0.133Pa at 20-50℃
Brechungsindex1.7290 (estimate)
pKa (Säurekonstante)1.39±0.20(Predicted)
StabilitätStable. Incompatible with strong oxidizing agents.
LogP (Verteilungskoeffizient)0.05 at 25℃ and pH7
Oberflächenspannung98.54mN/m at 1g/L and 20℃
EPA chemische InformationenN,N'-Dinitrosopentamethylenetetramine (101-25-7)

Sicherheit & Vorschriften

GHS-EinstufungDangerH228 (81.6%): Flammable solid [Danger Flammable solids]P210, P234, P235, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]
Regulatorische InformationenChemical: 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane (EC: 202-928-3)Dinitrosopentamethylenetetramine: Does not have an individual approval but may be used under an appropriate group standard
DOT-KennzeichnungFlammable Solid
BrandgefahrenExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Brandpotenzial...MODERATE FIRE RISK.
GesundheitsgefahrenExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
GefahrenübersichtMay cause irritation[MSDSonline]
Reaktive GruppeAmines, Phosphines, and Pyridines
Reactivity AlertsExplosive
Reactivity ProfileSelf-reactive. N,N'-DINITROSOPENTAMETHYLENE TETRAMINE is a blowing agent with an exothermic decomposition slightly above its melting point of 203 °C, Ellern, 161(1968). It is shock sensitive.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesFlam. Sol. 1 (81.6%)Self-reactive substances and mixtures - Type C
Shipment Methods and RegulationsNo person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
BrandbekämpfungExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Erste HilfeExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Freisetung ohne BrandExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Isolation and EvacuationExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Carcinogen ClassificationDinitrosopentamethylenetetramineGroup 3: Not classifiable as to its carcinogenicity to humansVolume 11: (1976) Cadmium, Nickel, Some Epoxides, Miscellaneous Industrial Chemicals and General Considerations on Volatile Anaesthetics1987
Non-Human Toxicity ExcerptsNO TUMORS...IN 15 MALE & 15 FEMALE 4-WK OLD FISCHER RATS GIVEN 9 MG/ANIMAL BY ORAL GAVAGE ON 5 DAYS/WK FOR 1 YR & OBSERVED FOR...6 MO....24 6-7-WK OLD MALE CB RATS RECEIVED WEEKLY IP INJECTIONS OF 25 MG DNPT IN POLYETHYLENE GLYCOL 400 FOR 25 WK (TOTAL DOSE, 650 MG) &...OBSERVED FOR UP TO 2 YR. AMONG 13 RATS THAT SURVIVED 16 OR MORE MO, 1 DEVELOPED HEPATOMA & 1 PITUITARY TUMOR. 1 HEPATOMA...AMONG 24 CONTROLS.IN RATS... DOSE OF 80 MG/KG BODY WT GIVEN DAILY BY IP INJECTION FOR 30 DAYS WAS TOLERATEDHIGHER DOSES PRODUCED TOXIC EFFECTS WITHIN CNS, WHICH RANGED FROM DEPRESSION OF CONDITIONED REFLEXES TO TONIC & CLONIC SPASMS.DIFFERENT TYPES OF CHEM CARCINOGENS (EG, NITROSAMINES) & SOME NONCARCINOGENIC ANALOGS TESTED IN VITRO FOR THEIR TRANSFORMING ACTIVITY IN AKR LEUKEMIA VIRUS INFECTED NIH SWISS MOUSE EMBRYO CELL SYSTEM. THESE TRANSFORMING ACTIVITIES IN VITRO WERE SAME AS IN IN VIVO.STUDIES ON A RIMOSUS EXPOSED TO N-NITROSO-N-METHYLUREA, N-NITROSO-N-METHYLBIURET & N-METHYL-N-NITROSO-N'-NITROGUANIDINE SHOWED INCIDENCE OF MUTATIONS WAS GREATEST & MICROBIAL SURVIVAL RATE WAS LOWEST FOLLOWING EXPOSURE TO N-NITROSODIALLYLAMINE & 1 OF AMIDES.
Evidence for CarcinogenicityNo data are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.
EPA Provisional Peer-Reviewed Toxicity ValuesN,N-DinitrosopentamethylenetetraminePDF Document2012
TSCA-Inventar-StatusTSCA listed
UN-Transportnummer3224
R-Sätze (R)22-40
Toxizitätmouse,LD50,intraperitoneal,130mg/kg (130mg/kg),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: TREMOR,Acta Physiologica Academiae Scientiarum Hungaricae. Vol. 28, Pg. 209, 1965.
Sicherheitshinweise (S)15-26-45
Gefahrstoffdaten101-25-7(Hazardous Substances Data)