CAS No.4068-78-4,Methyl 5-chloro-2-hydroxybenzoate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4068-78-4
Name:	Methyl 5-chloro-2-hydroxybenzoate
Article Data:	60

Formula:	C₈H₇ClO₃
Molecular Weight:	186.595
Synonyms:	Salicylicacid, 5-chloro-, methyl ester (6CI,7CI,8CI);2-Hydroxy-5-chlorobenzoic acidmethyl ester;5-Chloro-2-hydroxybenzoic acid methyl ester;5-Chlorosalicylicacid methyl ester;Methyl 2-hydroxy-5-chlorobenzoate;Methyl5-chloro-2-hydroxybenzoate;Methyl 5-chlorosalicylate;NSC 85495;5-Chloro-2-hydeoxybenzoic acid methyl ester;
EINECS:	223-778-5
Density:	1.354 g/cm³
Melting Point:	46-50 °C
Boiling Point:	260.5 °C at 760 mmHg
Flash Point:	111.4 °C
Appearance:	Solid.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	46.53000
LogP:	1.83220

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Specification

The Benzoic acid,5-chloro-2-hydroxy-, methyl ester, with the CAS registry number 4068-78-4, is also known as Methyl 5-chloro-2-hydroxybenzoate. It belongs to the product categories of Aromatic Esters; Esters; Phenyls & Phenyl-Het; Intermediate of Azasetron HCl; Phenyls & Phenyl-Het; C8 to C9; Carbonyl Compounds. Its EINECS registry number is 223-778-5. This chemical's molecular formula is C₈H₇ClO₃ and molecular weight is 186.59238. Its IUPAC name is called methyl 5-chloro-2-hydroxybenzoate. What's more, the product should be sealed and stored in dry and well-ventilated place.

Physical properties of Benzoic acid,5-chloro-2-hydroxy-, methyl ester: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.23; (4)ACD/BCF (pH 5.5): 170.19; (5)ACD/BCF (pH 7.4): 168.14; (6)ACD/KOC (pH 5.5): 1375.57; (7)ACD/KOC (pH 7.4): 1359.06; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 44.8 cm³; (13)Molar Volume: 137.7 cm³; (14)Surface Tension: 48.2 dyne/cm; (15)Density: 1.354 g/cm³; (16)Flash Point: 111.4 °C; (17)Enthalpy of Vaporization: 51.83 kJ/mol; (18)Boiling Point: 260.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00751 mmHg at 25°C.

Preparation of Benzoic acid,5-chloro-2-hydroxy-, methyl ester: this chemical can be prepared by methanol and 5-chloro-2-hydroxy-benzoic acid. This reaction will need reagent hydrogen chloride.

Benzoic acid,5-chloro-2-hydroxy-, methyl ester can be prepared by methanol and 5-chloro-2-hydroxy-benzoic acid

Uses of Benzoic acid,5-chloro-2-hydroxy-, methyl ester: it can be used to produce methyl 5-chloro-3-formyl-2-hydroxybenzoate with 1,3,5,7-tetraaza-adamantane at temperature of 130 °C. This reaction will need reagent methanesulfonic acid (MSA) with reaction time of 5 hours. The yield is about 77%.

Benzoic acid,5-chloro-2-hydroxy-, methyl ester can be used to produce methyl 5-chloro-3-formyl-2-hydroxybenzoate with 1,3,5,7-tetraaza-adamantane

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=CC(=C1)Cl)O
(2)InChI: InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(3)InChIKey: KJWHRMZKJXOWFC-UHFFFAOYSA-N