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Benzoic acid, 3-chloro-, methyl ester

Benzoic acid, 3-chloro-, methyl ester structure

CAS No:
2905-65-9
Formula:
C8H7ClO2
Chemical Name:
Benzoic acid, 3-chloro-, methyl ester
Synonyms:
Benzoic acid,3-chloro-,methyl ester;Benzoic acid,m-chloro-,methyl ester;m-Chlorobenzoic acid methyl ester;Methyl m-chlorobenzoate;Methyl 3-chlorobenzoate;3-Chlorobenzoic acid methyl ester;3-(Methoxycarbonyl)phenyl chloride

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Description

CLEAR COLORLESS TO YELLOW LIQUID

Benzoic acid, 3-chloro-, methyl ester Basic Attributes

Molecular Weight：

170.59

Exact Mass：

170.59

BRN：

2045126

EC Number：

220-814-1

UNII：

9M3K1L0149

DSSTox ID：

DTXSID6027507

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

2.9

Appearance：

Clear colorless to yellow Liquid or Low Melting Solid

Density：

1.2±0.1 g/cm3

Melting Point：

21 °C

Boiling Point：

231 °C

Flash Point：

220 °F

Refractive Index：

1.529

Water Solubility：

SOL IN ALCOHOL

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.063mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

S24/25

Benzoic acid, 3-chloro-, methyl ester Use and Manufacturing

Manufacturing Info：

Benzoic acid, 3-chloro-, methyl ester: INACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1253.	160.	isothermal	N2; Column length: 25. m; Column diameter: 0.33 mm	Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acidsJ. Chromatogr.1985, 322, 83-96.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1262.	180.	isothermal	N2; Column length: 25. m; Column diameter: 0.33 mm	Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acidsJ. Chromatogr.1985, 322, 83-96.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1275.	200.	isothermal	N2; Column length: 25. m; Column diameter: 0.33 mm	Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acidsJ. Chromatogr.1985, 322, 83-96.
Kovats' RI, non-polar column, isothermal	Capillary	OV-351	1854.	160.	isothermal	N2; Column length: 25. m; Column diameter: 0.32 mm	Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acidsJ. Chromatogr.1985, 322, 83-96.
Kovats' RI, non-polar column, isothermal	Capillary	OV-351	1864.	180.	isothermal	N2; Column length: 25. m; Column diameter: 0.32 mm	Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acidsJ. Chromatogr.1985, 322, 83-96.

Computed Properties

Molecular Weight:170.59
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

55184-84-4

1515-91-9

201230-82-2

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Guide of Benzoic acid, 3-chloro-, methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Learn More Other Chemicals

Benzoic acid, 3-chloro-, methyl ester

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