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2-메틸시클로펜타디에닐 망간트리카르보닐

Methylcymantrene

HCID 25511
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
12108-13-3
표준 SMILES
Cc1cc[cH-]c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIKey
IYSGJCJSRBFZSZ-UHFFFAOYSA-N
분자식
C9H7MnO3-
평균 분자량
218.09 g/mol
단동위원소 질량
217.977562

개요

Methylcyclopentadienyl manganese tricarbonyl (MMT) is a chemical compound of manganese. It was initially used as a supplement to the gasoline additive tetraethyl lead to increase a fuel's octane rating, then later also used in unleaded gasoline. It has been banned in various countries in the past due to its toxicity, but is available in most places today, despite controvery over its safety. Manganese is a naturally occurring metal with the symbol Mn and the atomic number 25. It does not occur naturally in its pure form, but is found in many types of rocks in combination with other substances such as oxygen, sulfur, or chlorine. Manganese occurs naturally in most foods and small amounts are needed to stay healthy, as manganese ions act as cofactors for a number of enzymes. (L228, L229, L239)

이름 및 식별자

우선 이름
Methylcymantrene
IUPAC
carbon monoxide;manganese;2-methylcyclopenta-1,3-diene
현지명
2-메틸시클로펜타디에닐 망간트리카르보닐
영어명
Methylcyclopentadienyl manganese tricarbonyl
분자식
C9H7MnO35*
분자량
218.09

이름 및 동의어

Methylcymantrenecarbon monoxide;manganese;2-methylcyclopenta-1,3-dieneEcotaneManganese, tricarbonylmethylcyclopentadienylMethyl cyclopentadienyl manganese tricarbonylManganese, (methylcyclopentadienyl)tricarbonyl-Manganese, tricarbonyl((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)-MMT [MI]Tricarbonyl(eta(5)-methylcyclopentadienyl)manganeseManganese, tricarbonyl(methyl-2,4-cyclopentadienyl)-1E52JN2L3ISCHEMBL3791921
이름 더 보기
2-메틸시클로펜타디에닐망간트리카르보닐2-메틸시클로펜타디에닐망간트리카르보닐메틸사이클로펜타다이엔일 망간 트라이카보닐METHYLCYCLOPENTADIENYLMANGANESE TRICARBONYLTricarbonyl(methylcyclopentadienyl)manganese(methylcyclopentadienyl)manganesetricarbonyl[qr]carbon monoxide,manganese,5-methylcyclopenta-1,3-dieneCI-2MCMTAk-33xmmt[qr]ci-2[qr]EthylMMT
SCHEMBL29517668IYSGJCJSRBFZSZ-UHFFFAOYSA-NKPKMQYCSOVZNMI-UHFFFAOYSA-NAKOS015916188tricarbonyl((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)- manganeseNCGC00249238-01FM172801NS00019422

물성

구조 계산 물성

극성 표면적
3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
13
형식 전하
-1
복잡도
43.3

물리화학적 성질

녹는점
1 °C · −1 °C (30 °F; 272 K)
끓는 점
232 to · 232 to 233 °C (450 to 451 °F; 505 to 506 K)
밀도
1.38 g/cm3 · 1.38 g/cm3
증기 밀도
1 · >1 (vs air)
증기압
0.05 mm · 0.05 mm Hg ( 20 °C)
굴절률
20 · n 20/D 1.584 (lit.)
인화점
110 °C; · 110 °C; 230 °F; 383 K
저장 조건
Poison room
물리적 상태
liquid
색상
pale yellow to dark orange
Specific Gravity
1.388 · 1.388
생물학적 소스
human
수용성
물에 불용성. 탄화수소 용매, 알코올, 에테르, 아세톤에 용해됨
Merck
14 · 14,6223
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;
InChIKey
LYHJNAIHGFWRKM-UHFFFAOYSA-N
SMILES
[Mn].[C-]#[O+].[C-]#[O+].[C-]#[O+].C[C]1[CH][CH][CH][CH]1
LogP
3.4 at · 3.4 at 26℃

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 및 보호

Minimum Risk LevelChronic Inhalation: 0.0003 mg/m3 (L134)

독성 정보

Health Effects · 1건

Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)

Exposure RoutesOral (L228) ; inhalation (L228)
Toxicity Summary · 1건

Manganese is a cellular toxicant that can impair transport systems, enzyme activities, and receptor functions. It primarily targets the central nervous system, particularily the globus pallidus of the basal ganglia. It is believed that the manganese ion, Mn(II), enhances the autoxidation or turnover of various intracellular catecholamines, leading to increased production of free radicals, reactive oxygen species, and other cytotoxic metabolites, along with a depletion of cellular antioxidant defense mechanisms, leading to oxidative damage and selective destruction of dopaminergic neurons. In addition to dopamine, manganese is thought to perturbations other neurotransmitters, such as GABA and glutamate. In order to produce oxidative damage, manganese must first overwhelm the antioxidant enzyme manganese superoxide dismutase. The neurotoxicity of Mn(II) has also been linked to its ability to substitute for Ca(II) under physiological conditions. It can enter mitochondria via the calcium uniporter and inhibit mitochondrial oxidative phosphorylation. It may also inhibit the efflux of Ca(II), which can result in a loss of mitochondrial membrane integrity. Mn(II) has been shown to inhibit mitochondrial aconitase activity to a significant level, altering amino acid metabolism and cellular iron homeostasis. (L228)

Signs and Symptoms · 1건

Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Manganese is absorbed mainly via ingestion, but can also be inhaled. It binds to alpha-2-macroglobulin, albumin, or transferrin in the plasma and is distributed to the brain and all other mammalian tissues, though it tends to accumulate more in the liver, pancreas, and kidney. MMT is metabolized by cytochrome P-450 enzymes into hydroxylmethylcyclopentadienyl manganese tricarbonyl and carboxycyclopentadienyl manganese tricarbonyl. These metabolites are excreted in the urine and faeces. (L228)

용도 및 제조

Uses · 1건

Methylcyclopentadienyl manganese tricarbonyl (MMT) is a chemical compound of manganese. It was initially used as a supplement to the gasoline additive tetraethyl lead to increase a fuel's octane rating, then later also used in unleaded gasoline. It has been banned in various countries in the past due to its toxicity, but is available in most places today, despite controvery over its safety. (L239)

응용 분야 · 2건

용도Methylcyclopentadienyl manganese tricarbonyl is used for doping of ZnSe nanocrystalsIt can also be used as a reactant for: Aldol addition reactionsPreparation of homo- and heteronuclear mixed biscarbene complexes with conjugated bithiophene units Molecular fragmentation using shaped femtosecond laser pulses Preparation of MnAs thin films grown on GaAs(001) by metalorganic vapour phase epitaxy (MOVPE)

일반 설명Methylcyclopentadienyl manganese tricarbonyl (hereinafter "MMT") is an antiknock agent for gasoline discovered in the fifties and sold commercially by Ethyl Corporation. It can be made by the reaction of carbon monoxide with bis(methylcyclopentadienyl) manganese referred to as "carbonylation".

상·하류 제품 정보

상류 원료

디시클로펜타디에닐 철

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
12108-13-3
PubChem CID
25511
UNII
1E52JN2L3I
EPA
Methylcyclopentadienyl manganese tricarbonyl (12108-13-3)

화학적 성질

An orange liquid with a pleasant odor. Slightly soluble in water and denser than water. May be toxic by inhalation, ingestion and/or skin absorption. Faintly pleasant, herb-like odor.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD50: 140-795 mg/kg (Dermal, Rabbit) (T32) LD50: 58 mg/kg (Oral, Rat) (A178) LC50: 247 mg/m3 over 1 hour (Inhalation, Rat) (T32)

안전 데이터

OEB
C
OEL
TWA: 0.2 mg/m3 [skin]
wgk
3
tsca
TSCA listed
rtecs
OP1450000
ridadr
UN 3281 6.1/PG 2
독성
LD50 orally in mice, guinea pig, rabbit: 352; 905; 95 mg/kg; orally in male, female rats: 175 ±33; 89 ±14; LC50 inhalation in rat: 0.22 mg/l (Stara)
risk_code
23/24/25-40-50/53-48/23-38-26-24/25
hazard_code
T,N,T+
safety_code
23-26-36/37/39-45-61-60-36/37-28
포장분류
II
위험 등급
6.1
기존화학 물질
KE-34053
Hazard Classifications
Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2STOT RE 1 Inhalation
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
유해 물질 데이터
12108-13-3(Hazardous Substances Data)

공급사100 곳

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