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

Dinitrosopentamethylenetetramine

HCID 7549
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
101-25-7
Standard-SMILES
O=NN1CN2CN(C1)CN(N=O)C2
InChIKey
MWRWFPQBGSZWNV-UHFFFAOYSA-N
Summenformel
C5H10N6O2
Durchschnittliche Molmasse
186,17 g/mol
Monoisotopische Masse
186,08652358

Überblick

Flammable explosive solid.

Namen und Bezeichner

Bevorzugter Name
Dinitrosopentamethylenetetramine
IUPAC
3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Lokaler Name
3,7-Dinitroso-1,3,5,7-tetraazabi-cyclo(3.3.1)nonan
Englischer Name
N,N'-DINITROSOPENTAMETHYLENETETRAMINE
Summenformel
C5H10N6O2
Molmasse
186.17

Namen und Synonyme

101-25-7DINITROSOPENTAMETHYLENETETRAMINEDipentaxMicroporDnpmtOpexMikrofor NPorophor BN,N-DinitrosopentamethylenetetramineVulcacel BNUnicel-NDUnicel NDX
Weitere Namen anzeigen
DPMTAdnpmPU 55opex80opex93PTs 55
Porofor DNO/FPorofor chkhc-18Aceto DNPT 100Vulcacel B-40DNMPTDNPTKhempor N 90N,N'-Dinitrosopentamethylenetetramine

Datenbank-Bezeichner

CAS
101-25-7
PubChem CID
7549
DTXSID
DTXSID5020526
ChEBI
CHEBI:82457
UNII
O35M5QNM4Q
EC Number
202-928-3
Nikkaji
J1.179G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
71,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
0
Schwere Atome
13
Formalladung
0
Komplexität
189

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitrosamines
Color/Form · 2 Einträge

LIGHT CREAM-COLORED POWDER

LIGHT-YELLOW NEEDLES

Solubility · 5 Einträge

SOL IN DIMETHYL FORMAMIDE; SOMEWHAT SOL IN PYRIDINE

SOMEWHAT SOL IN METHYL ETHYL KETONE & ACETONITRILE

SLIGHTLY SOL IN WATER (ABOUT 1%), METHANOL, ETHANOL

SLIGHTLY SOL IN BENZENE, ETHER, ACETONE

READILY SOL DIMETHYL SULFOXIDE

Physical Description · 3 Einträge

Flammable explosive solid.

Dry Powder

Cream-colored solid; [Hawley] Off-white powder; [MSDSonline]

Stability/Shelf LifeHYDROLYZES IN PRESENCE OF DILUTE HYDROCHLORIC ACID @ 100 °C

Physikochemische Eigenschaften

Schmelzpunkt
207 °C · 207°C
Siedepunkt
320.65 °C · 320.65°C (rough estimate)
Dichte

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H228 (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.

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 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 LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Fire Potential...MODERATE FIRE RISK.
Health HazardsExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as a blowing agent (rubber and plastics); [Hawley]

BLOWING AGENT FOR NATURAL & SYNTHETIC UNICELLULAR RUBBER, POLYVINYL CHLORIDE PLASTISOLS, FOR EPOXY, POLYESTER & SILICONE RESINS

U.S. Exports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Imports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Production · 3 Einträge

2023: <50,000 lb

(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Industry UsesPropellants, non-motive (blowing agents)
Methods of ManufacturingADDITION OF ACID (EG, HYDROCHLORIC) TO A COLD, MIXED SOLUTION OF HEXAMETHYLENETETRAMINE AND SODIUM NITRITE
Formulations/Preparations...AVAILABLE IN US AS FREE-FLOWING POWD IN GRADES CONTAINING 99%, 93%, 80% & 42% ACTIVE INGREDIENT. INERT COMPONENTS OF BLENDED PRODUCTS ARE INORGANIC DILUENTS (EG, SILICA, CLAY), PROCESSING AIDS &/OR STABILIZERS...
General Manufacturing Information · 6 Einträge

Synthetic Rubber Manufacturing

1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-: ACTIVE

/DINITROSOPENTAMETHYLENETETRAMINE/...PRODUCED IN JAPAN HAS FOLLOWING SPECIFICATIONS: PURITY, GREATER THAN 98%; WATER, LESS THAN 0.1%, DECOMP TEMP, 200-205 °C; QUANTITY OF GAS GENERATED (0 °C, 1 ATMOSPHERE), 240 ML/G.

...USED AS NITROGEN-RELEASING CHEM BLOWING AGENT FOR PREPN OF NATURAL & SYNTH UNICELLULAR RUBBER, WHICH IS USED MAINLY IN CARPET UNDERLAY, AUTOMOBILE & BUILDING WEATHER STRIPPING, THERMAL INSULATION MATERIAL, SHOE LININGS, CUSHIONING & FLOTATION PRODUCTS.

...EFFECTIVE BLOWING AGENT FOR EXPANSION OF POLYVINYL CHLORIDE PLASTISOLS & EPOXY, POLYESTER & SILICONE RESINS.

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen

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Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
1.4132 · 1.4132 (rough estimate)
Dampfdruck
0.133 Pa · 0.133Pa at 20-50℃
Brechungsindex
1.729 · 1.7290 (estimate)
pka
1.39 · 1.39±0.20(Predicted)
Wasserlöslichkeit
9.901 g/L · 9.901g/L(temperature not stated)
Stabilität
Stable. Incompatible with strong oxidizing agents.
LogP
0.05 at · 0.05 at 25℃ and pH7
Oberflächenspannung
98.54 mN/m · 98.54mN/m at 1g/L and 20℃
EPA chemische Informationen
N,N'-Dinitrosopentamethylenetetramine (101-25-7)
Hazards Summary
May cause irritation; [MSDSonline]
Reactive GroupAmines, 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 Categories · 2 Einträge

Flam. Sol. 1 (81.6%)

Self-reactive substances and mixtures - Type C

Shipment Methods and Regulations · 2 Einträge

No 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.

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
First AidExcerpt from ERG Guide 149 [Substances (Self-Reactive)]:
Nonfire Spill ResponseExcerpt 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)]:

Toxikologische Informationen

Carcinogen Classification · 5 Einträge

Dinitrosopentamethylenetetramine

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 11: (1976) Cadmium, Nickel, Some Epoxides, Miscellaneous Industrial Chemicals and General Considerations on Volatile Anaesthetics

1987

1987

Non-Human Toxicity Excerpts · 5 Einträge

NO 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 TOLERATED; HIGHER 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 Values · 3 Einträge

N,N-Dinitrosopentamethylenetetramine

PDF Document

2012

Sicherheitsdaten

tsca
TSCA listed
ridadr
3224
risk_code
22-40
Toxizität
mouse,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.
safety_code
15-26-45
Giftige Stoffe Daten
101-25-7(Hazardous Substances Data)

POLY(METHYL METHACRYLATE) RESIN WITH ADDNL DINITROSOPENTAMETHYLENETETRAMINE, N-TRIBUTYL PHOSPHATE & INORG BONE CHIPS WAS IMPLANTED INTO BABOON LONG BONES & LEFT FOR 4-14 WK. GOOD FIBROUS INGROWTH DID NOT OCCUR AS IT DID WITH OTHER FORMULATIONS

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

dilute sulphuric acidChlorMethenamin

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