CAS No.52196-74-4,1-CHLORO-2,5-DIETHOXYBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52196-74-4
Name:	1-CHLORO-2,5-DIETHOXYBENZENE
Article Data:	4

Formula:	C₁₀H₁₃ClO₂
Molecular Weight:	200.665
Synonyms:	2,5-Diethoxy-1-chlorobenzene;2,5-Diethoxychlorobenzene;NSC 89737;benzene, 2-chloro-1,4-diethoxy-;Chloro-2,5-diethoxybenzene;
EINECS:	257-728-9
Density:	1.1 g/cm³
Boiling Point:	273.1 °C at 760 mmHg
Flash Point:	96.7 °C
Risk Codes:	R10
PSA:	18.46000
LogP:	3.13740

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Specification

The 2-Chloro-1,4-diethoxybenzene, with the CAS registry number 52196-74-4 and EINECS registry number 257-728-9, is also called 2,5-Diethoxy-1-chlorobenzene. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₃ClO₂.

The characteristics of 2-Chloro-1,4-diethoxybenzene are as followings: (1)ACD/LogP 3.94; (2)# of Rule of 5 Violations 0; (3)ACD/LogD (pH 5.5) 3.94; (4)ACD/LogD (pH 7.4) 3.94; (5)ACD/BCF (pH 5.5) 579.97; (6)ACD/BCF (pH 7.4) 579.97; (7)ACD/KOC (pH 5.5) 3308.64; (8)ACD/KOC (pH 7.4) 3308.64; (9)#H bond acceptors 2; (10)#H bond donors 0; (11)#Freely Rotating Bonds 4; (12)Polar Surface Area 18.46 Å²; (13)Index of Refraction 1.501; (14)Molar Refractivity 53.77 cm³; (15)Molar Volume 182.4 cm³; (16)Polarizability 21.31×10^-24cm³; (17)Surface Tension 32.6 dyne/cm; (18)Density 1.1 g/cm³; (19)Flash Point 96.7 °C; (20)Enthalpy of Vaporization 49.09 kJ/mol; (21)Boiling Point 273.1 °C at 760 mmHg; (22)Vapour Pressure 0.00975 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(OCC)ccc1OCC
(2)InChI: InChI=1/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3
(3)InChIKey: ZIMKMIAIVORSSX-UHFFFAOYAP