Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-니트로-오-자일렌
4-니트로-오-자일렌 · 3,4-DIMETHYLNITROBENZENE · 3,4-Dimethyl-1-nitrobenzene · 4-Nitroxylene · 4-nitro-o-xylen · 4-Nitro-o-xylol · p-Nitro-o-xylene · 4-NITRO-O-XYLENE
식별자 및 물리적 특성
| CAS No. | 99-51-4 |
|---|---|
| 분자식 | C8H9NO2 |
| 평균 분자량 | 151.16 g/mol |
| 단동위원소 질량 | 151.06332853 g/mol |
| SMILES | Cc1ccc([N+](=O)[O-])cc1C |
| InChIKey | HFZKOYWDLDYELC-UHFFFAOYSA-N |
| PubChem CID | 7440 |
| ChEMBL | CHEMBL1413373 |
| EC No. | 202-761-6 |
| DTXSID | DTXSID2025133 |
| 현지명 | 4-니트로-오-자일렌 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 153 |
| 밀도 | 1.117 (NTP, 1992) - Denser than waterwill sink1.139 g/mL at 25 °C(lit.) |
| Color/Form | YELLOW PRISMS FROM ALCOHOLCRYSTALLINE NEEDLESYELLOW LIQ /2,4- & 2,5-ISOMERS/ |
| 용해도 | 1 to 5 mg/mL at 59 °F (NTP, 1992)INSOL IN WATERSLIGHTLY SOL IN HOT ALCOHOLSOL IN ETHER /NITROXYLENE/0.1g/L |
| 인화점 | 225 °F (NTP, 1992)107 °C>230 °F |
| 끓는 점 | 489 °F at 748 mmHg (NTP, 1992)254 °C @ 760 MM HG255 °C |
| 녹는점 | 86 to 88 °F (NTP, 1992)30-31 °C29 °C |
| Physical Description | 1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)LiquidYellow solid[HSDB] |
| Kovats Retention Index | 1283.4 |
| Other Experimental Properties | SPECIFIC GRAVITY: 1.135MP: 2 °CBP: 246 °C /NITROXYLENE/ |
| 증기압 | 21.73Pa at 25℃ |
| 굴절률 | 1.555-1.557 |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | White or Colorless to Yellow |
| 용해도 | 100mg/L(25℃) |
| BRN | 2043245 |
| 헨리 상수 | 3.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3 |
| InChIKey | HFZKOYWDLDYELC-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1C)[N+]([O-])=O |
| LogP(분배 계수) | -0.154 at 32℃ and pH6.13 |
| NIST | Benzene, 1,2-dimethyl-4-nitro-(99-51-4) |
| EPA | 4-Nitro-o-xylene (99-51-4) |
화학적 성질
yellow crystalline solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 69.8% (104 of 149) of all reports.WarningH302 (29.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (28.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (28.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 104 of 149 reports by companies.There are 4 notifications provided by 45 of 149 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Benzene, 1,2-dimethyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dimethyl-4-nitro- 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)Status: Cease Manufacture Update: 19-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11082 |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.ACUTE/CHRONIC HAZARDS: This compound is an irritant of the skin, eyes and mucous membranes. (NTP, 1992) |
| 유해성 요약 | Very toxic by inhalation, ingestion, and skin absorptionEmergency treatment: NitrobenzeneNitrobenzene causes skin irritationIt is toxic by all routes causing methemoglobinemia and liver injuryEstimated lethal dose in adults is 1-5 grams[HSDB] A skin, eye, and mucous membrane irritant[CAMEO] An irritant[MSDSonline] |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 1,2-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizers and strong bases. |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (29.5%)Acute Tox. 4 (28.9%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992) |
| Isolation and Evacuation | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Human Toxicity Excerpts | HAZARD: HIGHLY TOXIC BY INGESTION, INHALATION & SKIN ABSORPTION. /NITROXYLENE/ |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3447 6.1/PG 2 |
| 관세 코드 | 29042000 |
| 위험 문구(R) | 20/21/22-36/37/38-23/24/25 |
| 위험 표시 | Xn,T |
| 안전 문구(S) | 22-36/37-45-36/37/39-26-13 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 4 Oral |
| 기존화학 물질 | KE-26047 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| 유해 물질 데이터 | 99-51-4(Hazardous Substances Data) |
용도
일반 설명
Yellow prisms or yellow crystalline solid.