기본 정보
- 표준 SMILES
COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CVYZVNVPQRKDLW-UHFFFAOYSA-N- 분자식
- C7H6N2O5
- 평균 분자량
- 198.13 g/mol
- 단동위원소 질량
- 198.02767129
개요
2,4-dinitroanisole is a member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group. It has a role as an explosive.
이름 및 식별자
- 우선 이름
- 2,4-Dinitroanisole
- IUPAC
- 1-methoxy-2,4-dinitrobenzene
- 영어명
- 1-Methoxy-2,4-dinitrobenzene
- 분자식
- C7H6N2O5
- 분자량
- 198.13
이름 및 동의어
2,4-DINITROANISOLE1-Methoxy-2,4-dinitrobenzene119-27-7Dinitroanisole2,4-Dinitrophenyl methyl etherBenzene, 1-methoxy-2,4-dinitro-2,4-Dinitrophenylmethyl etherDTXSID9041366NSC-87331L0OD70295DTXCID7021366CHEBI:84559
이름 더 보기
-Dinitroanisole2,4-dimitroanisole2,4-dinitro-anisolalpha-Dinitroanisole2,4-Dinitroanisole99%
NSC8733RefChem:82565204-310-92,4-Dinitroanisol1-Methoxy-2,4-dinitro-benzeneAnisole, 2,4-dinitro-NSC 87332,4-Nitroanisole
데이터베이스 식별자
- CAS
119-27-7- PubChem CID
- 8385
- DTXSID
DTXSID9041366- ChEMBL
CHEMBL167820- ChEBI
CHEBI:84559- UNII
- 1L0OD70295
- EC Number
- 204-310-9
- Nikkaji
- J2.914I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 233
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.61
Vapor Pressure0.000138 [mmHg]
Physical Description
Other Solid
Tan powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 94 · 94-96 °C(lit.)
- 끓는 점
- 207 °C/12mm · 207°C/12mm
- 밀도
- 1.34 g/mL · 1.34 g/mL at 25 °C(lit.)
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 굴절률
- 1.546 · 1.5460 (estimate)
- 인화점
- 207 °C/12mm · 207°C/12mm
- 수용성
- 155 mg/L · 뜨거운 메탄올에 대한 용해도; 거의 투명함. 수용성, 155mg/L 15°C. 에틸 아세테이트 & 아세톤.
- BRN
- 1881474 · 1881474
- LogP
- 1.58 at · 1.58 at 25℃
- NIST
- 1 · Benzene, 1-methoxy-2,4-dinitro-(119-27-7)
- EPA
- 2 · 2,4-Dinitroanisole (119-27-7)
화학적 성질
yellow crystals or crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (67.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzene, 1-methoxy-2,4-dinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-methoxy-2,4-dinitro- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27582
Hazards SummaryMay cause irritation; May induce methemoglobinemia; Harmful by ingestion; [Sigma-Aldrich MSDS] See p-Nitroanisole.
Hazard Classes and CategoriesAcute Tox. 4 (67.1%)
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DA5250000
- 독성
- rat,LDLo,oral,100mg/kg (100mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.
- risk_code
- 20/21/22-40-22
- hazard_code
- Xn
- safety_code
- 7/8-22-36/37/39
- 위험 등급
- 6.1
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesEnergy Releasers (explosives, motive propellant)
General Manufacturing Information
Explosives Manufacturing
Benzene, 1-methoxy-2,4-dinitro-: ACTIVE
응용 분야
용도It can be used as a dye ingredient. It is one of the insensitive nitroaromatic ingredients increasingly used as a replacement for 2,4,6-trinitrotoluene (TNT) in munitions.
제조 방법
생산 방법2,4-Dinitrochlorobenzene is treated with methanolic sodium hydroxide in a process similar to that described for 4-nitroanisole. 2,4-Dinitrophenetole [610-54-8] is similarly manufactured by using ethanol.
상·하류 제품 정보
상류 원료
하류 제품
공급사3 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
추가 설명
정의ChEBI: A member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group.
관련 반응
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