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CAS No.: | 36404-30-5 |
---|---|
Name: | 3,4-DICHLOROANISOLE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H6Cl2O |
Molecular Weight: | 177.03 |
Synonyms: | 3,4-Dichloroanisole;3,4-Dichloromethoxybenzene;1,2-Dichloro-4-methoxybenzene; |
EINECS: | -0 |
Density: | 1.289 g/cm3 |
Melting Point: | -8--7°C |
Boiling Point: | 226.1 °C at 760 mmHg |
Flash Point: | 98.4 °C |
Appearance: | Clear light yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-20/22 |
Safety: | 37/39-26-23 |
PSA: | 9.23000 |
LogP: | 3.00200 |
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The Benzene,1,2-dichloro-4-methoxy-, with the CAS registry number 36404-30-5, is also known as 3,4-Dichloromethoxybenzene. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. This chemical's molecular formula is C7H6Cl2O and molecular weight is 177.03. What's more, its IUPAC name is 1,2-dichloro-4-methoxybenzene.
Physical properties of Benzene,1,2-dichloro-4-methoxy- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/BCF (pH 7.4): 279.63; (5)ACD/KOC (pH 5.5): 1962.75; (6)ACD/KOC (pH 7.4): 1962.75; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 42.72 cm3; (13)Molar Volume: 137.3 cm3; (14)Polarizability: 16.93×10-24cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Density: 1.289 g/cm3; (17)Flash Point: 98.4 °C; (18)Enthalpy of Vaporization: 44.39 kJ/mol; (19)Boiling Point: 226.1 °C at 760 mmHg; (20)Vapour Pressure: 0.125 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. The product is also harmful by inhalation and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection. What's more, you should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC)cc1Cl
(2)Std. InChI: InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
(3)Std. InChIKey: VISJRVXHPNMYRH-UHFFFAOYSA-N