111910
2-氯甲苯
99%
别名:
1-氯-2-甲基苯
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关于此项目
线性分子式:
CH3C6H4Cl
化学文摘社编号:
分子量:
126.58
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39050205
UNSPSC Code:
12352100
EC Number:
202-424-3
MDL number:
Beilstein/REAXYS Number:
1904175
Assay:
99%
Form:
liquid
refractive index
n20/D 1.525 (lit.)
bp
157-159 °C (lit.)
mp
−36 °C (lit.)
solubility
H2O: soluble
density
1.083 g/mL at 25 °C (lit.)
functional group
chloro
Quality Level
InChI key
IBSQPLPBRSHTTG-UHFFFAOYSA-N
InChI
1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
SMILES string
Cc1ccccc1Cl
vapor density
4.38 (vs air)
vapor pressure
10 mmHg ( 43 °C)
assay
99%
form
liquid
General description
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。
Application
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。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 2 - Flam. Liq. 3 - Repr. 2
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
109.4 °F - closed cup
flash_point_c
43 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
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
NIXANTPHOS: A Highly Active Ligand for Palladium Catalyzed Buchwald-Hartwig Amination of Unactivated Aryl Chlorides.
Mao J, et al.
Dalton Transactions, (26) (2018)
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 Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 1005-1013 (2010-09-28)
In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100-4000 cm(-1) and 50-4000 cm(-1), respectively, for the title molecules. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands
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