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Merck
CN

111910

Sigma-Aldrich

2-氯甲苯

99%

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别名:
1-氯-2-甲基苯
线性分子式:
CH3C6H4Cl
CAS号:
分子量:
126.58
Beilstein:
1904175
EC 号:
MDL编号:
UNSPSC代码:
12352100
eCl@ss:
39050205
PubChem化学物质编号:
NACRES:
NA.22

蒸汽密度

4.38 (vs air)

质量水平

蒸汽压

10 mmHg ( 43 °C)

检测方案

99%

形式

liquid

折射率

n20/D 1.525 (lit.)

bp

157-159 °C (lit.)

mp

−36 °C (lit.)

溶解性

H2O: soluble

密度

1.083 g/mL at 25 °C (lit.)

SMILES字符串

Cc1ccccc1Cl

InChI

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

InChI key

IBSQPLPBRSHTTG-UHFFFAOYSA-N

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一般描述

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

应用

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。

警示用语:

Warning

危险分类

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

WGK

WGK 2

个人防护装备

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

法规信息

危险化学品

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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
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)
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)
M A Haro et al.
Journal of biotechnology, 85(2), 103-113 (2001-02-13)
In this article, we illustrate the challenges and bottlenecks in the metabolic engineering of bacteria destined for environmental bioremediation, by reporting current efforts to construct Pseudomonas strains genetically designed for degradation of the recalcitrant compound 2-chlorotoluene. The assembled pathway includes

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