Molecular Structure of 2,4-Dichloroanisole (CAS NO.553-82-2):
IUPAC Name: 2,4-Dichloro-1-methoxybenzene
Molecular Formula: C7H6Cl2O
Molecular Weight: 177.03
EINECS: 209-051-5
Melting Point: 24-27 °C(lit.)
Index of Refraction: 1.534
Molar Refractivity: 42.72 cm3
Molar Volume: 137.3 cm3
Surface Tension: 35.6 dyne/cm
Density: 1.289 g/cm3
Flash Point: 91.2 °C
Enthalpy of Vaporization: 43.87 kJ/mol
Boiling Point: 220.9 °C at 760 mmHg
Vapour Pressure: 0.164 mmHg at 25 °C
Appearance: clear colourless liquid
Canonical SMILES: COC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey: CICQUFBZCADHHX-UHFFFAOYSA-N
Product Categories: Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds
Safety Information of 2,4-Dichloroanisole (CAS NO.553-82-2):
Hazard Codes: Xn
Risk Statements: 36/37/38-20/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/22:Harmful by inhalation and if swallowed.
Safety Statements: 37/39-26-23
S37/39:Wear suitable gloves and eye/face protection.
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
2,4-Dichloroanisole (CAS NO.553-82-2), its Synonyms are 1,5-Dichloro-2-methoxybenzene ; 2,4-Dichloro-1-methoxybenzene ; Anisole, 2,4-dichloro- (8CI) ; Benzene, 2,4-dichloro-1-methoxy- ; 2,4-Dichloro-1-methoxy-benzene ; Anisole, 2,4-dichloro- .
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