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Merck
CN

111929

Sigma-Aldrich

4-氯甲苯

98%

别名:

1-氯-4-甲基苯, 1-甲基-4-氯苯, 4-甲基-1-氯苯, 4-甲基氯苯, 4-甲基苯基氯, 对氯甲基苯, 对氯甲苯, 对甲基氯苯

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About This Item

线性分子式:
CH3C6H4Cl
CAS号:
分子量:
126.58
Beilstein:
1903635
EC 号:
MDL编号:
UNSPSC代码:
12352100
eCl@ss:
39050207
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 ( 45 °C)

方案

98%

表单

liquid

杂质

≤2% 2-chlorotoluene

折射率

n20/D 1.52 (lit.)

沸点

162 °C (lit.)

mp

6-8 °C (lit.)

密度

1.07 g/mL at 25 °C (lit.)

官能团

chloro

SMILES字符串

Cc1ccc(Cl)cc1

InChI

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

InChI key

NPDACUSDTOMAMK-UHFFFAOYSA-N

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一般描述

4-氯三苯和苯基硼酸使用Pd(OAc)2/L•2HX 作为催化剂反应是用于测定双咪唑基(L)配体前体的效率的模型反应

应用

通过将合成的空气通入液体 4-氯噻吩,该产品可用于制备 4-氯噻吩的模型气体

警示用语:

Warning

危险分类

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

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

123.8 °F - closed cup

闪点(°C)

51 °C - closed cup

个人防护装备

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

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Palladium-bisimidazol-2-ylidene complexes as catalysts for general and efficient Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.
Zhang C and Trudell ML.
Tetrahedron Letters, 41(5), 595-598 (2000)
Organic pollutants treatment in gas phase by using electron beam generated non-thermal plasma reactor.
Sun, Y, et al.
Chem. Listy, 102(16), s1524-s1528 (2008)
T Nishio et al.
Applied microbiology and biotechnology, 55(3), 321-325 (2001-05-09)
p-Cymene monooxygenase (CMO) from Pseudomonas putida F1 consists of a hydroxylase (CymA1) and a reductase component (CymA2) which initiate pcymene (p-isopropyltoluene) catabolism by oxidation of the methyl group to p-isopropylbenzyl alcohol (p-cumic alcohol). To study the possible diverse range of
C Arunagiri et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1747-1756 (2011-06-18)
The FT-IR and FT-Raman spectra of 2-bromo-4-chlorotoluene (2B4CT) molecule have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Optimized geometrical structures, harmonic vibrational frequencies, intensities, reduced mass, force constants and depolarization ratio have been computed by the
Ya-Jun Liu et al.
Physical chemistry chemical physics : PCCP, 7(23), 3938-3942 (2005-12-07)
Equilibrium geometries and vibrational frequencies of the ground and some excited states of p-chlorotoluene were calculated by the complete active space self-consistent field (CASSCF) method. Multi-reference CASSCF second order perturbation theory (MSCASPT2) calculations were performed on the vertical excitation energies

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