Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
파라 니트로소 메틸아닐닌
파라니트로소메틸아닐닌 · N,N-디메틸-4-니트로소아닐린 · SKL297 · Nitro base · NCI-C01821 · Accelerene · Accelerine · Vulcaniline
식별자 및 물리적 특성
| CAS No. | 138-89-6 |
|---|---|
| 분자식 | C8H10N2O |
| 평균 분자량 | 150.18 g/mol |
| 단동위원소 질량 | 150.07931295 g/mol |
| SMILES | CN(C)c1ccc(N=O)cc1 |
| InChIKey | CMEWLCATCRTSGF-UHFFFAOYSA-N |
| PubChem CID | 8749 |
| ChEMBL | CHEMBL1569493 |
| ChEBI | CHEBI:59990 |
| EC No. | 205-343-1 |
| DTXSID | DTXSID7025138 |
| 현지명 | 파라 니트로소 메틸아닐닌 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 32.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 128 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen)Reactive agents - 1st degree |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 밀도 | 1.145 (NTP, 1992) - Denser than waterwill sink1.145 @ 20 °C1,15 g/cm3 |
| Color/Form | GREEN PLATES OR LEAFLETSGREENISH-YELLOW SOLID |
| 용해도 | less than 0.1 mg/mL at 70 °F (NTP, 1992)INSOL IN WATERSOL IN ALC, ETHERSOL IN FORMAMIDE클로로포름, 메탄올에 용해됨 |
| 녹는점 | 198.5 to 200.3 °F (NTP, 1992)92.5-93.5 °C85-87 °C(lit.) |
| 증기압 | 0.4 [mmHg] |
| Physical Description | P-nitrosodimethylaniline appears as a dark green crystalline solid. Insoluble in water. Harmful if ingested.Green solid[Merck Index] Green crystalline powder[MSDSonline] |
| Collision Cross Section | 128.4 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7025138] |
| 끓는 점 | 271.72°C (rough estimate) |
| 굴절률 | 1.6180 (estimate) |
| 저장 조건 | Store below +30°C. |
| 용해도 | 물에 불용성 |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -0.90±0.12(Predicted) |
| 색상 | Yellow to Brown to Dark green |
| Merck | 14,6638 |
| BRN | 607293 |
| 안정성 | 안정적인. 강한 산화제, 강한 환원제, 강산, 아세트산, 무수 아세트산과 호환되지 않습니다. 가연성이 높음 |
| InChI | 1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3 |
| InChIKey | CMEWLCATCRTSGF-UHFFFAOYSA-N |
| SMILES | N(C)(C)c1ccc(cc1)N=O |
| EPA | N,N-Dimethyl-p-nitrosoaniline (138-89-6) |
화학적 성질
green crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.DangerH251 (97.8%): Self-heatingmay catch fire [Danger Self-heating substances and mixtures]P235, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, N,N-dimethyl-4-nitroso-N,N-Dimethyl-4-nitrosoaniline: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Spontaneously Combustible |
| 화재 위험 | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:· Flammable/combustible material. |
| 화재 가능성 | MODERATE, WHEN EXPOSED TO HEAT OR FLAME |
| 건강 유해성 | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:· Fire will produce irritating, corrosive and/or toxic gases. |
| 유해성 요약 | An irritant and sensitizing agent, but not known to cause methemoglobinemia[HSDB] Oral LD50 (mammals) = 650 mg/kgEffects after feeding rats lethal doses include somnolence, convulsions, and hematuria[RTECS] May spontaneously combust on contact with air[CAMEO] An irritantToxic if swallowedMay cause skin sensitization[Aldrich MSDS] |
| 운송 번호 및 가이드(DOT) | 1369 135 |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Alerts | Pyrophoric |
| Reactivity Profile | P-NITROSODIMETHYLANILINE has a delayed violent reaction with acetic anhydride. (NTP, 1992) |
| DOT Hazard Classification | p-NitrosodimethylanilineUN1369Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Susceptible to spontaneous combustion upon exposure to air. Insoluble in water. |
| 소화 | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]: |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 보관 조건 | ...KEEP ALL FLAMMABLES AWAY FROM AREA WHERE OXIDIZING AGENTS ARE STORED. STORAGE AREA SHOULD BE KEPT COOL & VENTILATED, & SHOULD BE FIREPROOF. |
| 비화재 누출 대응 | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]: |
| Preventive Measures | ...CARE MUST ALWAYS BE TAKEN TO PREVENT ESCAPE OF VAPOR OR PARTICLES INTO ATMOSPHERE & TO PREVENT CONTAMINATION OF SKIN OR CLOTHING OF OPERATOR BY DIRECT CONTACT WITH CHEMICAL. /AROMATIC AMINES/ |
| Isolation and Evacuation | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]: |
| Emergency Response Planning Guidelines | · DO NOT USE WATER, CO2 OR FOAM ON MATERIAL ITSELF. |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| Human Toxicity Excerpts | ...APPARENTLY NOT METHEMOGLOBIN FORMER, BUT IS HIGHLY IRRITATING TO SKIN BOTH AS PRIMARY IRRITANT & SENSITIZING AGENT. |
| Non-Human Toxicity Excerpts | P-NITROSODIMETHYLANILINE ADMIN TO NZR RATS & NZO MICE @ 300 MG/L DRINKING WATER OVER 1ST HALVES OF LIFESPAN, AVG AMT ACTUALLY CONSUMED 1.2 G/RAT & 262 MG/MOUSE. SIGNIFICANT INCREASES OCCURRED IN TUMORS OF LUNGS, KIDNEY & MALIGNANT LYMPHOMA IN RATS, & IN TUMORS OF LUNGS, DUODENUM & MALIGNANT LYMPHOMA IN MICE.THE EFFECTS OF A SINGLE SC INJECTION OF P-NITROSODIMETHYLANILINE (I) ON MALE RATS WERE STUDIED BY THE USE OF URINARY ENZYME MEASUREMENTS. ALKALINE PHOSPHATASE IN URINE WAS ELEVATED 48 HOURS AFTER I. ACID PHOSPHATASE AND MURAMIDASE ACTIVITIES IN URINE WERE SIGNIFICANTLY ELEVATED SOON AFTER THE ADMIN OF I AND REMAINED ABOVE THE NORMAL LEVELS LESS THAN OR EQUAL TO 120 HOURS AFTER I. URINE VOLUME AND PROTEIN LEVELS WERE MARKEDLY REDUCED. PROTEIN IN SERUM WAS REDUCED WHILE KIDNEY AND LIVER PROTEINS WERE RAISED. THE SIGNIFICANCE OF INTERACTION OF THE BIOTRANSFORMATION PRODUCTS OF I WITH THE RENAL SYSTEM IS DISCUSSED.AFTER THE APPLICATION OF 25 GAMMA P-NITROSODIMETHYLANILINE (I) TO EPILATED GUINEA PIG SKIN, THE ANIMAL INITIALLY BECAME MILDLY SENSITIVE TO THE COMPOUND, BUT 1-2 WEEKS LATER THE GUINEA PIG BECAME INSENSITIVE TO SC INJECTED I 500 GAMMA IN COMPLETE ADJUVANT. THE SHORTER THE INTERVAL BETWEEN THE TOPICAL APPLICATION OF I AND ITS INJECTION IN ADJUVANT, THE GREATER THE SENSITIVE REACTION, INDICATED BY THE DEGREE OF ERYTHEMA. ONE DAY AFTER A SENSITIZING INJECTION, SOME MEASURE OF INSENSITIVITY WAS INDUCED BY TOPICAL APPLICATION OF THE SENSITIZER. THEREFORE, UNRESPONSIVENESS AND SENSITIZATION DEVELOPED OVER THE SAME PERIOD OF TIME AFTER THE INITIAL TOPICAL APPLICATION OF SENSITIZER.N,N-Dimethyl-p-nitrosoaniline was found to be positive when tested for mutagenicity using the Salmonella/microsome preincubation assay, using the standard protocol approved by the National Toxicology Program (NTP). N,N-Dimethyl-p-nitrosoaniline was tested in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat and hamster liver S-9, at doses of 1.000, 3.300, 5.000, 8.000,l 10.000, 33.000, 50.000, 100.000, 200.000, and 333.000 ug/plate. The compound was positive in strains TA100 and TA98 with and without activation. The lowest positive dose tested was 8.000 ug/plate in strain TA100 without activation. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BX7175000 |
| 운송 번호(UN) | UN 1369 |
| 독성 | LD50 orally in Rabbit: 65 mg/kg |
| 관세 코드 | 2921 42 00 |
| 위험 문구(R) | 11-25-36/37/38-43 |
| 위험 표시 | F,T |
| 안전 문구(S) | 16-26-36/37-45 |
| 포장분류 | II |
| 위험 등급 | 4.2Acute Tox. 3 OralEye Irrit. 2Self-heat. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| F 고인화성물질 | 4.7-8-9 |
| 저장 분류 | 4.2 - Pyrophoric and self-heating hazardous materials |
| 유해 물질 데이터 | 138-89-6(Hazardous Substances Data) |
용도
용도
manufacture of organic Compounds; accelerator in vulcanizing; in printing fabrics.
일반 설명
A dark green crystalline solid. Insoluble in water. Harmful if ingested.