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Merck

111910

Sigma-Aldrich

2-氯甲苯

99%

别名:

1-氯-2-甲基苯

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About This Item

线性分子式:
CH3C6H4Cl
CAS号:
分子量:
126.58
Beilstein:
1904175
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
eCl@ss:
39050205
PubChem物質ID:
NACRES:
NA.22

蒸汽密度

4.38 (vs air)

品質等級

蒸汽壓力

10 mmHg ( 43 °C)

化驗

99%

形狀

liquid

折射率

n20/D 1.525 (lit.)

bp

157-159 °C (lit.)

mp

−36 °C (lit.)

溶解度

H2O: soluble

密度

1.083 g/mL at 25 °C (lit.)

官能基

chloro

SMILES 字串

Cc1ccccc1Cl

InChI

1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChI 密鑰

IBSQPLPBRSHTTG-UHFFFAOYSA-N

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一般說明

2-氯甲苯可通过红球菌OCT 10 DSM 45596(T)菌株而被完全矿化。它可被用于制备3-氯-4-甲基儿茶酚和4-氯-3-甲基儿茶酚。以下酶可很好的催化2-氯甲苯的氧化:恶臭假单胞菌F1中的甲苯双加氧酶和来自BurkholderiaPS12菌株的氯苯双加氧酶

應用

2-氯甲苯可作为前体用于通过钯催化的Negishi交叉偶联进行芳基偶联产物的合成。它也可被用于Buchwald-Hartwig胺化以合成芳胺。

訊號詞

Warning

危險分類

Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 2 - Flam. Liq. 3 - Repr. 2

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

109.4 °F - closed cup

閃點(°C)

43 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Flexible Steric Bulky Bis (Imino) acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald?Hartwig Amination in Air.
Lan X B, et al.
The Journal of Organic Chemistry, 82(6), 2914-2925 (2017)
NIXANTPHOS: A Highly Active Ligand for Palladium Catalyzed Buchwald-Hartwig Amination of Unactivated Aryl Chlorides.
Mao J, et al.
Dalton Transactions, (26) (2018)
A Lehning et al.
Applied and environmental microbiology, 63(5), 1974-1979 (1997-05-01)
The degradation of toluene by Pseudomonas putida F1 and of chlorobenzenes by Burkholderia sp. strain PS12 is initiated by incorporation of dioxygen into the aromatic nucleus to form cis-dihydrodihydroxybenzenes. Toluene-grown cells of P. putida F1 and 3-chlorobenzoate-grown cells of Burkholderia
The first general method for palladium-catalyzed Negishi cross-coupling of aryl and vinyl chlorides: use of commercially available Pd (P (t-Bu) 3) 2 as a catalyst
Dai C, et al.
Journal of the American Chemical Society, 123(12), 2719-2724 (2001)
Katrin Pollmann et al.
Microbiology (Reading, England), 149(Pt 4), 903-913 (2003-04-11)
The tetrachlorobenzene dioxygenase (TecA) of Ralstonia sp. PS12 carries out the first step in the aerobic biodegradation of chlorinated toluenes. Besides dioxygenation of the aromatic ring of 4-chloro-, 2,4-, 2,5- and 3,4-dichlorotoluene as the main reaction, it also catalyses mono-oxygenation

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