Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디니트로소 펜타메틸렌 테트라민
N,N'-디니트로소펜타메틸렌테트라민 · 디나이트로소펜타메틸렌사아민 · 디니트로소펜타메틸렌사아민 · 다이나이트로소펜타메틸렌테트라민 · 디니트로소펜타메틸렌테트라민 · 3,4-디-N-나이트로소펜타메틸렌사아민 · 3,7-디-N-나이트로스펜타메틸렌사아민 오펙스 · N,N-디나이트로소펜타메틸렌사아민
식별자 및 물리적 특성
| CAS No. | 101-25-7 |
|---|---|
| 분자식 | C5H10N6O2 |
| 평균 분자량 | 186.17 g/mol |
| 단동위원소 질량 | 186.08652358 g/mol |
| SMILES | O=NN1CN2CN(C1)CN(N=O)C2 |
| InChIKey | MWRWFPQBGSZWNV-UHFFFAOYSA-N |
| PubChem CID | 7549 |
| ChEBI | CHEBI:82457 |
| EC No. | 202-928-3 |
| DTXSID | DTXSID5020526 |
| 현지명 | 디니트로소 펜타메틸렌 테트라민 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 71.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 189 |
| 물질 분류 | Nitrogen Compounds -> Nitrosamines |
| Color/Form | LIGHT CREAM-COLORED POWDERLIGHT-YELLOW NEEDLES |
| 용해도 | SOL 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 SULFOXIDE |
| Physical Description | Flammable explosive solid.Dry PowderCream-colored solid[Hawley] Off-white powder[MSDSonline] |
| Stability/Shelf Life | HYDROLYZES IN PRESENCE OF DILUTE HYDROCHLORIC ACID @ 100 °C |
| 녹는점 | 207°C |
| 끓는 점 | 320.65°C (rough estimate) |
| 밀도 | 1.4132 (rough estimate) |
| 증기압 | 0.133Pa at 20-50℃ |
| 굴절률 | 1.7290 (estimate) |
| pKa(산도 계수) | 1.39±0.20(Predicted) |
| 용해도 | 9.901g/L(온도 미표시) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| LogP(분배 계수) | 0.05 at 25℃ and pH7 |
| 표면장력 | 98.54mN/m at 1g/L and 20℃ |
| EPA | N,N'-Dinitrosopentamethylenetetramine (101-25-7) |
안전 및 규제
| GHS 분류 | DangerH228 (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] |
|---|---|
| 규제 정보 | 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 |
| 운송 라벨(DOT) | Flammable Solid |
| 화재 위험 | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| 화재 가능성 | ...MODERATE FIRE RISK. |
| 건강 유해성 | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| 유해성 요약 | May cause irritation[MSDSonline] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Self-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 Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Flam. Sol. 1 (81.6%)Self-reactive substances and mixtures - Type C |
| Shipment Methods and Regulations | 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. |
| 소화 | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| 응급 처치 | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 149 [Substances (Self-Reactive)]: |
| Carcinogen Classification | DinitrosopentamethylenetetramineGroup 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 Excerpts | 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 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 Carcinogenicity | No 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 | N,N-DinitrosopentamethylenetetraminePDF Document2012 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 3224 |
| 독성 | 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. |
| 위험 문구(R) | 22-40 |
| 안전 문구(S) | 15-26-45 |
| 기존화학 물질 | KE-11954 |
| 유해 물질 데이터 | 101-25-7(Hazardous Substances Data) |
용도
일반 설명
Flammable explosive solid.