基本情報
- CAS
101-25-7- 標準SMILES
O=NN1CN2CN(C1)CN(N=O)C2- InChIKey
MWRWFPQBGSZWNV-UHFFFAOYSA-N- 分子式
- C5H10N6O2
- 平均分子量
- 186.17 g/mol
- 単同位体質量
- 186.08652358
概要
Flammable explosive solid.
名称と識別子
- 優先名称
- Dinitrosopentamethylenetetramine
- IUPAC
- 3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
- 現地名
- N,N'-ジニトロソペンタメチレンテトラミン
- 英語名
- N,N'-DINITROSOPENTAMETHYLENETETRAMINE
- 分子式
- C5H10N6O2
- 分子量
- 186.17
名称と別名
101-25-7DINITROSOPENTAMETHYLENETETRAMINEDipentaxMicroporDnpmtOpexMikrofor NPorophor BN,N-DinitrosopentamethylenetetramineVulcacel BNUnicel-NDUnicel NDX
名称をさらに表示
N,N'-ジニトロソペンタメチレンテトラミン3,7-ジニトロソ-1,3,5,7-テトラアザビシクロ[3.3.1]ノナンN,N-ジニトロソペンタメチレンテトラアミン3,7-ジニトロソ-1,3,5,7-テトラアザジシクロ[3.3.1]ノナンジニトソペンタメチレンテトラミンN，N’ジニトロソペンタメチレンテトラミンN,N'-ジニトロソペンンタメチレンテトラミンN，N’-ジニトロソペンタメチレンテトラミンN,N'‐ジニトロソペンタメチレンテトラミンジニトロソペンタメチレンテトラミンDPMTAdnpmPU 55opex80opex93PTs 55
Porofor DNO/FPorofor chkhc-18Aceto DNPT 100Vulcacel B-40DNMPTDNPTKhempor N 90N,N'-Dinitrosopentamethylenetetramine
データベース識別子
- CAS
101-25-7- PubChem CID
- 7549
- DTXSID
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 71.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 189
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitrosamines
Color/Form
LIGHT CREAM-COLORED POWDER
LIGHT-YELLOW NEEDLES
Solubility
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
Flammable explosive solid.
Dry Powder
Cream-colored solid; [Hawley] Off-white powder; [MSDSonline]
Stability/Shelf LifeHYDROLYZES IN PRESENCE OF DILUTE HYDROCHLORIC ACID @ 100 °C
物理化学的性質
- 融点
- 207 °C · 207°C
- 沸点
- 320.65 °C · 320.65°C (rough estimate)
- 比重(密度)
- 1.4132 · 1.4132 (rough estimate)
- 蒸気圧
- 0.133 Pa · 0.133Pa at 20-50℃
- 屈折率
- 1.729 · 1.7290 (estimate)
- 酸解離定数(Pka)
- 1.39 · 1.39±0.20(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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]
危険有害性情報
Regulatory Information
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)]:
Hazards SummaryMay cause irritation; [MSDSonline]
化学と産業
用途と製造
Uses
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
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
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
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.
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
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