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)
Katrin Pollmann et al.
Journal of bacteriology, 187(7), 2332-2340 (2005-03-19)
To elucidate possible reasons for the recalcitrance of 2-chlorotoluene, the metabolism of chloromethylcatechols, formed after dioxygenation and dehydrogenation by Ralstonia sp. strain PS12 tetrachlorobenzene dioxygenase and chlorobenzene dihydrodiol dehydrogenase, was monitored using chlorocatechol dioxygenases and chloromuconate cycloisomerases partly purified from
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