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3674-09-7

Basic Information
CAS No.: 3674-09-7
Name: Methyl 2,3-dichloropropionate
Article Data: 22
Molecular Structure:
Molecular Structure of 3674-09-7 (Methyl 2,3-dichloropropionate)
Formula: C4H6Cl2O2
Molecular Weight: 156.996
Synonyms: Propionicacid, 2,3-dichloro-, methyl ester (6CI,7CI,8CI);2,3-Dichloropropanoic acidmethyl ester;2,3-Dichloropropionic acid methyl ester;Methyl2,3-dichloropropanoate;Methyl 2,3-dichloropropionate;Methyl a,b-dichloropropionate;NSC 67382;NSC 9373;
EINECS: 222-940-2
Density: 1.295 g/cm3
Boiling Point: 172.9 °C at 760 mmHg
Flash Point: 42.2 °C
Appearance: clear colorless to slightly yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-10
Safety: 23-24/25-37/39-26-16
Transport Information: 1993
PSA: 26.30000
LogP: 1.00560
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Specification

The cas register number of Methyl 2,3-dichloropropionate is 3674-09-7. It also can be called as 2,3-Dichloropropionic acid methyl ester and the IUPAC Name about this chemical is methyl 2,3-dichloropropanoate. It belongs to the following product categories, such as Alpha Sort, M, MAlphabetic, META - METH, Volatiles/ Semivolatiles and so on.

Physical properties about Methyl 2,3-dichloropropionate are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.72; (5)ACD/BCF (pH 7.4): 3.72; (6)ACD/KOC (pH 5.5): 89.18; (7)ACD/KOC (pH 7.4): 89.18; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 32.01 cm3; (13)Molar Volume: 121.1 cm3; (14)Polarizability: 12.69x10-24cm3; (15)Surface Tension: 32.9 dyne/cm; (16)Enthalpy of Vaporization: 40.93 kJ/mol; (17)Boiling Point: 172.9 °C at 760 mmHg; (18)Vapour Pressure: 1.3 mmHg at 25°C.

Preparation: this chemical can be prepared by acrylic acid methyl ester, this reaction also produce methyl 3-chloro-2-iodopropionate. This reaction will need reagent ICl3. The reaction time is 13 hour(s) with reaction temperature of 20 ℃. The yield is about 43%.

Uses of Methyl 2,3-dichloropropionate: it can be used to produce 2-chloro-acrylic acid methyl ester at Heating. This reaction will need reagent sulphuric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, in addition, you need avoid contact with skin and eyes, not breathe vapour and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(Cl)C(=O)OC
(2)InChI: InChI=1/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
(3)InChIKey: OFHMODDLBXETIK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
(5)Std. InChIKey: OFHMODDLBXETIK-UHFFFAOYSA-N