나이트로메테인
니트로메탄 · 나이트로메테인 · 나이트로메테인(니트로메탄) · 니트로카르볼 · 나이트로메탄 · 나이트로카르볼 · CH3NO2 · MeNO2
식별자 및 물리적 특성
| CAS No. | 23717-53-5 |
|---|---|
| 분자식 | CH3NO2 |
| 평균 분자량 | 61.04 g/mol |
| 단동위원소 질량 | 61.01637834 g/mol |
| SMILES | C[N+](=O)[O-] |
| InChIKey | LYGJENNIWJXYER-UHFFFAOYSA-N |
| PubChem CID | 6375 |
| ChEMBL | CHEMBL276924 |
| ChEBI | CHEBI:77701 |
| EC No. | 200-876-6 |
| DTXSID | DTXSID2020977 |
| 현지명 | 나이트로메테인 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 27.5 |
| 물질 분류 | Nitrogen Compounds -> Nitros, AliphaticCarcinogens |
| 화장품 | Anticorrosive |
| pH | pH of 0.01M aqueous solution = 6.126.4 (0.6g/l, H2O, 20℃) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | low Kow = -0.350.08 |
| 냄새 | Moderately strong, somewhat disagreeable odor불쾌한 과일 냄새 |
| 밀도 | 1.139 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1371 g/cu cm at 20 °CBulk density = 9.5 lb/galRelative density (water = 1): 1.141.38 @ 20°C1.127 g/mL at 25 °C (lit.) |
| Viscosity | 0.614 cP at 25 °C |
| Color/Form | Colorless liquidOily liquid |
| 용해도 | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)Solubility of water in nitromethane: 2.1% at 25 °CIn water, 1.11X10+5 mg/L at 25 °CSoluble in ethanol, ethyl ether, acetone, carbon tetrachloride, and alkali10%105g/L |
| 인화점 | 95 °F (NTP, 1992)95-96 °F95 °F (35 °C) (Closed Cup)36 °C (97 °F) (Closed cup)35 °C c.c. |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | -29 °C (lit.) |
| 끓는 점 | 101.2 °C (lit.) |
| 증기 밀도 | 2.1 (vs air) |
| 증기압 | 27.3 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.382(lit.) |
| 저장 조건 | Flammables area |
| pKa(산도 계수) | 10.2(at 25℃) |
| 물리적 상태 | 액체 |
| 색상 | APHA: ≤10 |
| 폭발한계 | 7.3-63.0%(V) |
| 용해도 | 9.5g/100mL(20℃) |
| 비열 | Cp(liquid): 1.75 J/(g·K)Cp(gas): 0.91 J/(g·K), at 25℃ |
| Merck | 14,6611 |
| BRN | 1698205 |
| 헨리 상수 | 2.24 at 20.00 °C, 3.61 at 30.00 °C, 5.40 at 40.00 °C, 7.97 at 50.00 °C (inert gas stripping, Bene and Dohnal, 1999) |
| 유전율 | 22.7(Ambient) |
| 주요 응용 | 음식 및 음료 |
| 화장품 원료 기능 | 부식 방지 |
| InChI | 1S/CH3NO2/c1-2(3)4/h1H3 |
| InChIKey | LYGJENNIWJXYER-UHFFFAOYSA-N |
| SMILES | C[N+]([O-])=O |
| 표면장력 | 36.8mN/m at 20°C |
| NIST | Methane, nitro-(75-52-5) |
| EPA | Nitromethane (75-52-5) |
화학적 성질
Nitromethane is a highly flammable and explosive colorless liquid with a strong, disagreeable odor. Nitromethane is not explosive, but is used as industrial chemical for various purposes. Nitromethane can explode only in big quantity and in strong confinement. In combination with some further components, nitromethane is the important part of very strong, cap sensitive explosives. Therefore, nitromethane is an easy accessible precursor for preparation of strong home-made explosives.Nitromethane is used as a stabilizer of halogenated organic solvents, rocket and racing fuel and a chemical intermediate. It is also used as a solvent for cyanoacrylate adhesives, polymers and waxes. It serves as a Michael donor, adding to alfa,beta-unsaturated carbonyl compounds through 1,4-addition in the Michael reaction. It acts as a solvent used for extractions, reaction medium and as a cleaning solvent. Further, it is used in the manufacture of pharmaceuticals, explosives, fibers and coatings.
안전 및 규제
| GHS 분류 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P318, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Methane, nitro-Hazard Traits - CarcinogenicityMethane, nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, 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: Active Update: 22-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11417Methane, nitro-: HSNO Approval: HSR001206 Approved with controlsThe 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.) |
| 기타 안전 정보 | IMAP assessments - Methane, nitro-: Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Behavior in Fire: Containers may explode (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with incompatible substances. See Chemical Dangers. |
| 화재 가능성 | A very dangerous fire hazard when exposed to heat, oxidizers or flame. |
| 건강 유해성 | Liquid may dry out skin and cause irritation. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | The lethal oral dose in humans is between 0.5 and 5 g/kg. Nitromethane can cause respiratory irritation, narcosis, and possibly liver injury. Animals in subchronic inhalation studies suffer thyroid injury. [ACGIH] Not irritating to the skin |
용도
용도
살생물제 등의 합성 원료로 쓰인다.용해력이 큰 용매로서 중요하며 로켓의 연료로도 사용된다.
용도
코팅산업, 셀룰로스(cellulosic) 화합물, 고분자 & 왁스의 용매, 고분자, 왁스, 연료 첨가제, 로켓 연료
용도
"이 제품은 솔벤트, 셀룰로오스 화합물, 폴리머, 수지, 코팅제, 왁스 제품 등에 적용 할 수 있습니다. 또한 점화 마약, 계면 활성제, chloropicrin의 준비를위한 meterial로 사용됩니다. 또한 폭발물, 로켓, 자동차 연료, 레이싱 연료, 의약품, 염료, 살충제 및 휘발유 첨가제를 만들 수 있습니다. "
개요
Nitromethane (75-52-5) is an explosive material that was originally manufactured for various applications including mining, construction, demolition, law enforcement, and military uses. However, due to threats of terrorism and increased attention to accident prevention, regulations concerning the transportation, storage, use, and transfer relating to explosives have steadily increased over the last few years and manufacturing limited.
용도
Most of the nitromethane produced in the United States (85% to 90%) is used in the synthesis of nitromethane derivatives used as pharmaceuticals, agricultural soil fumigants, and industrial antimicrobials (Markofsky 1991, Angus 2001). Nitromethane also is used as a fuel or fuel additive with methanol in racing cars, boats, and model engines. It formerly was used in the explosives industry as a component in a binary explosive formulation with ammonium nitrate and in shaped charges, and it was used as a chemical stabilizer to prevent decomposition of various halogenated hydrocarbons (NTP 1997, IARC 2000, Angus 2001).
일반 설명
A colorless oily liquid. Flash point 95°F. May violently decompose if intensely heated when contaminated. Denser than water and slightly soluble in water. Hence sinks in water. Vapors are heavier than air. Moderately toxic. Produces toxic oxides of nitrogen during combustion.
제조 및 합성 방법
생산 방법
Nitromethane was first prepared in 1872 by Kolbe, and is produced commercially by high-temperature vapour-phase nitration of propane. The process, which uses nitric acid as the nitrating agent, is based on a free-radical reaction in which the active species is the NO2 radical (Markofsky, 1991; Angus Chemical Co., 1998).Nitromethane and the other important nitroparaffins are synthesized commercially by the vapor-phase nitration of propane (Baker and Bollmeier 1978). At temperatures of 370-450°C and pressures of 8-12 atmospheres, nitromethane, nitroethane and 1- and 2-nitropropane are formed and then separated by distillation.