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35387-93-0

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Basic Information
CAS No.: 35387-93-0
Name: METHYL 3-IODO-4-METHOXYBENZOATE
Article Data: 17
Molecular Structure:
Molecular Structure of 35387-93-0 (METHYL 3-IODO-4-METHOXYBENZOATE)
Formula: C9H9 I O3
Molecular Weight: 292.073
Synonyms: p-Anisicacid, 3-iodo-, methyl ester (7CI); 2-Iodo-4-(methoxycarbonyl)anisole;3-Iodo-4-methoxybenzoic acid methyl ester; Methyl 3-iodo-4-methoxybenzoate;Methyl 3-iodo-p-anisate; NSC 246065
Density: 1.684g/cm3
Melting Point: 93-95 ºC
Boiling Point: 340.1°Cat760mmHg
Flash Point: 159.5°C
Hazard Symbols:
Risk Codes: R36/37/38   
Safety:
WGK Germany 3
PSA: 35.53000
LogP: 2.08640
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Chemistry

Molecular Structure of Methyl 3-iodo-4-methoxybenzoate (CAS No.35387-93-0):
 
Molecular Formula: C9H9IO3 
Molecular Weight: 292.0704
CAS No: 35387-93-0
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.578
Molar Refractivity: 57.61 cm3
Molar Volume: 173.4 cm3
Surface Tension: 43.1 dyne/cm
Density: 1.684 g/cm3
Flash Point: 159.5 °C
Enthalpy of Vaporization: 58.36 kJ/mol
Boiling Point: 340.1 °C at 760 mmHg
Vapour Pressure: 8.81E-05 mmHg at 25°C
InChI: InChI=1/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChIKey: GHNGBFHLUOJHKP-UHFFFAOYAE
Std. InChI: InChI=1S/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
Std. InChIKey: GHNGBFHLUOJHKP-UHFFFAOYSA-N
IUPAC Name: Methyl 3-iodo-4-methoxybenzoate
Product Categories: Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates;Iodine Compounds;C8 to C9;Carbonyl Compounds;Esters

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3

Specification

  Methyl 3-iodo-4-methoxybenzoate (CAS No.35387-93-0), its synonyms are Benzoic acid, 3-iodo-4-methoxy-, methyl ester ; Methyl-3-iod-4-methoxybenzoat ; 3-Iodo-4-methoxy-benzoic acid methyl ester .