Product Name

  • Name

    METHYL 5-CHLORO-2-METHOXYBENZOATE

  • EINECS 251-743-4
  • CAS No. 33924-48-0
  • Article Data13
  • CAS DataBase
  • Density 1.229 g/cm3
  • Solubility
  • Melting Point 150-152 °C
  • Formula C9H9ClO3
  • Boiling Point 237.5 °C at 760 mmHg
  • Molecular Weight 200.622
  • Flash Point 120.2 °C
  • Transport Information
  • Appearance White to light yellow crystal powder
  • Safety 26-37-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 33924-48-0 (METHYL 5-CHLORO-2-METHOXYBENZOATE)
  • Hazard Symbols IrritantXi
  • Synonyms o-Anisicacid, 5-chloro-, methyl ester (8CI);4-Chloro-2-(methoxycarbonyl)anisole;5-Chloro-2-methoxybenzoic acid methyl ester;Methyl 2-methoxy-5-chlorobenzoate;
  • PSA 35.53000
  • LogP 2.13520

Synthetic route

2-methoxybenzoic acid methyl ester
606-45-1

2-methoxybenzoic acid methyl ester

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With N-chloro-succinimide; silver hexafluoroantimonate; 1-methylthiotriptycene In 1,2-dichloro-ethane at 20℃; for 2h; Inert atmosphere; Schlenk technique;91%
With sodium persulfate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; sodium chloride In water; acetonitrile at 25℃; for 15h; Irradiation;73 %Spectr.
5-chloro-2-hydroxybenzoic acid
321-14-2

5-chloro-2-hydroxybenzoic acid

dimethyl sulfate
77-78-1

dimethyl sulfate

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In dichloromethane; water at 20℃; for 4h;46%
With sodium hydroxide
With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water for 4h; Ambient temperature;
Stage #1: 5-chloro-2-hydroxybenzoic acid With sodium hydroxide In water at 37℃; for 0.5h; pH=10;
Stage #2: dimethyl sulfate In water for 3h; pH=10;
methanol
67-56-1

methanol

5-chloro-2-methoxybenzoic acid
3438-16-2

5-chloro-2-methoxybenzoic acid

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With hydrogenchloride
2-methoxy-5-chlorobenzonitrile
55877-79-7

2-methoxy-5-chlorobenzonitrile

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous-alcoholic KOH-solution
2: hydrogen chloride
View Scheme
5-chloro-2-hydroxybenzoic acid
321-14-2

5-chloro-2-hydroxybenzoic acid

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With potassium carbonate; dimethyl sulfate In acetone23.10 g (99%)
p-(5-chloro-2-methoxybenzamidoethyl)-benzenesulfonic acid

p-(5-chloro-2-methoxybenzamidoethyl)-benzenesulfonic acid

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With thionyl chloride In N-methyl-acetamide; benzene
5-chloro-2-hydroxybenzoic acid
321-14-2

5-chloro-2-hydroxybenzoic acid

methyl iodide
74-88-4

methyl iodide

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; Reflux; Darkness;
4-chloromethoxybenzene
623-12-1

4-chloromethoxybenzene

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triisobutylaluminum; 2,2,6,6-tetramethyl-piperidine; n-butyllithium / tetrahydrofuran; hexane / 3 h / -78 - 20 °C
1.2: 3 h / -78 - 20 °C / 760.05 Torr
2.1: toluene; methanol / Inert atmosphere
View Scheme
5-chloro-2-methoxybenzoic acid
3438-16-2

5-chloro-2-methoxybenzoic acid

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
In methanol; toluene Inert atmosphere;86.3 mg
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

methyl 2-methoxy-5-sulfamoyl-benzoate
33045-52-2

methyl 2-methoxy-5-sulfamoyl-benzoate

Conditions
ConditionsYield
With sodium sulfamate; copper(I) bromide In tetrahydrofuran at 50℃; for 10h; Temperature; Reflux;96.55%
With sodium aminosulfinate; copper(I) bromide In tetrahydrofuran at 40℃; for 18h; Concentration; Temperature;96.55%
With sodium aminosulfinate; copper(l) chloride In tetrahydrofuran at 40℃; for 8h; Temperature;96.55%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

acetonitrile
75-05-8

acetonitrile

3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile
69316-10-5

3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile

Conditions
ConditionsYield
Stage #1: acetonitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran; hexane at -78℃; for 0.666667h;		94%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

p-tolylzinc(II) chloride
90252-89-4

p-tolylzinc(II) chloride

methyl 2-methoxy-5-(p-methylphenyl)benzoate
1271315-60-6

methyl 2-methoxy-5-(p-methylphenyl)benzoate

Conditions
ConditionsYield
With Ni(Cl){2-(Ph2P)C6H4NCH(Ph)P(O)Ph2} In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 25℃; for 24h; Negishi coupling reaction; Inert atmosphere;93%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

bis(pinacol)diborane
73183-34-3

bis(pinacol)diborane

3-chloro-6-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester
1146214-97-2

3-chloro-6-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester

Conditions
ConditionsYield
With silica-SMAP-Ir(OCH3)(C8H12) In hexane ligand reacted with B-compound in hexane in presence of Ir-complex as catalyst at 25°C for 4 h;85%
With Silica-SMAP-Ir(OMe)(cod) In hexane at 25℃; for 4h; Autoclave; regioselective reaction;85%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

5-chloro-2-methoxybenzoic acid
3438-16-2

5-chloro-2-methoxybenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃;83%
With water; sodium hydroxide In ethanol at 15 - 30℃; for 4h;74.9%
With sodium hydroxide for 16h; Ambient temperature; Yield given;
With sodium hydroxide In 1,4-dioxane
With water at 80℃; for 0.25h;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

(5-chloro-2-methoxyphenyl)methanol
7035-10-1

(5-chloro-2-methoxyphenyl)methanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 2h;73.5%
In tetrahydrofuran
In tetrahydrofuran
With lithium aluminium tetrahydride In tetrahydrofuran for 2h; Heating / reflux;
With lithium aluminium tetrahydride In diethyl ether for 2h; Cooling with ice;
1-Chlorooctane
111-85-3

1-Chlorooctane

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

methyl 2-methoxy-5-octylbenzoate

methyl 2-methoxy-5-octylbenzoate

Conditions
ConditionsYield
With nickel(II) bromide dimethoxyethane; pyridine-2,6-bis(N-cyanocarboxamidine); lithium chloride; zinc In 1-methyl-pyrrolidin-2-one at 80℃; for 23h; Inert atmosphere;59%
pyrrolidine
123-75-1

pyrrolidine

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

(5-chloro-2-methoxyphenyl)(pyrrolidin-1-yl)methanone

(5-chloro-2-methoxyphenyl)(pyrrolidin-1-yl)methanone

Conditions
ConditionsYield
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃; for 2h;56%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

cyclooctylguanidine sulfate
75230-36-3

cyclooctylguanidine sulfate

N-(5-Chloro-2-methoxy-benzoyl)-N'-cyclooctyl-guanidine; hydrochloride
75230-19-2

N-(5-Chloro-2-methoxy-benzoyl)-N'-cyclooctyl-guanidine; hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; sodium In methanol for 5h; Ambient temperature;55.4%
4-methoxyphenyl triflate
66107-29-7

4-methoxyphenyl triflate

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

methyl 4,4'-dimethoxy-[1,1'-biphenyl]-3-carboxylate

methyl 4,4'-dimethoxy-[1,1'-biphenyl]-3-carboxylate

Conditions
ConditionsYield
With nickel(II) chloride2-methoxyethyl ether; 1,4-di(diphenylphosphino)-butane; 4,4'-di-tert-butyl-2,2'-bipyridine; lithium chloride; palladium dichloride; zinc In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide at 20 - 80℃; for 24h; Ullmann Condensation; Inert atmosphere;45%
1-(imino(4-methylpiperazin-1-yl)methyl)guanidine dihydrochloride

1-(imino(4-methylpiperazin-1-yl)methyl)guanidine dihydrochloride

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

4-(4-methylpiperazin-1-yl)-6-(3-chloro-6-methoxyphenyl)-1,3,5-triazin-2-amine
1620567-89-6

4-(4-methylpiperazin-1-yl)-6-(3-chloro-6-methoxyphenyl)-1,3,5-triazin-2-amine

Conditions
ConditionsYield
With methanol; sodium Reflux;31%
1-(3,4-methylenedioxyphenyl)biquanidine hydrochloride

1-(3,4-methylenedioxyphenyl)biquanidine hydrochloride

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

N-BENZO[1,3]DIOXOL-5-YL-6-(5-CHLORO-2-METHOXYPHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE
521064-26-6

N-BENZO[1,3]DIOXOL-5-YL-6-(5-CHLORO-2-METHOXYPHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE

Conditions
ConditionsYield
28%
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

6-(5-chloro-2-methoxy-phenyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
68215-85-0

6-(5-chloro-2-methoxy-phenyl)-N-phenyl-[1,3,5]triazine-2,4-diamine

Conditions
ConditionsYield
With sodium ethanolate In ethanol; water27%
2-acetyl-1-tetralone
17216-08-9

2-acetyl-1-tetralone

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

1-(5-Chloro-2-methoxyphenyl)-3-(1,2,3,4-tetrahydro-1-oxo-2-naphthalenyl)-1,3-propanedione
108506-68-9

1-(5-Chloro-2-methoxyphenyl)-3-(1,2,3,4-tetrahydro-1-oxo-2-naphthalenyl)-1,3-propanedione

Conditions
ConditionsYield
With sodium hydride In 1,2-dimethoxyethane for 6h; Heating;
2-acetyl-6-allylphenol
58621-39-9

2-acetyl-6-allylphenol

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

8-Allyl-2-(5-chloro-2-methoxy-phenyl)-chromen-4-one
198351-09-6

8-Allyl-2-(5-chloro-2-methoxy-phenyl)-chromen-4-one

Conditions
ConditionsYield
With sulfuric acid; sodium hydride 1) THF, reflux, 5 h, 2) THF, MeOH, reflux, 3 h; Yield given. Multistep reaction;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

5-chloro-2-methoxy-phenyl magnesium bromide

5-chloro-2-methoxy-phenyl magnesium bromide

tris-(5-chloro-2-methoxy-phenyl)-methanol

tris-(5-chloro-2-methoxy-phenyl)-methanol

Conditions
ConditionsYield
With diethyl ether
ortho-methylbenzoic acid
118-90-1

ortho-methylbenzoic acid

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

5-chloro-2-methoxybenzoic acid ester

5-chloro-2-methoxybenzoic acid ester

2-[2-(5-Chloro-2-methoxy-phenyl)-2-oxo-ethyl]-benzoic acid

2-[2-(5-Chloro-2-methoxy-phenyl)-2-oxo-ethyl]-benzoic acid

Conditions
ConditionsYield
With lithium diisopropyl amide 1) THF, 0 deg C, 60 min, 2) THF; Yield given. Multistep reaction;
...Expand
tert-butyl phenylcarbamate
3422-01-3

tert-butyl phenylcarbamate

methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

[2-(5-chloro-2-methoxy-benzoyl)-phenyl]-carbamic acid tert-butyl ester

[2-(5-chloro-2-methoxy-benzoyl)-phenyl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: tert-butyl phenylcarbamate With tert.-butyl lithium In tetrahydrofuran at -78 - -40℃;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran at -40 - 0℃;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

N-(t-butoxycarbonyl)-4-chloroaniline
18437-66-6

N-(t-butoxycarbonyl)-4-chloroaniline

[4-chloro-2-(5-chloro-2-methoxy-benzoyl)-phenyl]-carbamic acid tert-butyl ester

[4-chloro-2-(5-chloro-2-methoxy-benzoyl)-phenyl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: N-(t-butoxycarbonyl)-4-chloroaniline With tert.-butyl lithium In tetrahydrofuran at -78 - -40℃;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran at -40 - 0℃;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

t-butyl<3-(trifluoromethyl)phenyl>-carbamate
109134-07-8

t-butyl<3-(trifluoromethyl)phenyl>-carbamate

A

[2-(5-chloro-2-methoxy-benzoyl)-3-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

[2-(5-chloro-2-methoxy-benzoyl)-3-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

B

[2-(5-chloro-2-methoxy-benzoyl)-5-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

[2-(5-chloro-2-methoxy-benzoyl)-5-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: t-butyl<3-(trifluoromethyl)phenyl>-carbamate With tert.-butyl lithium In tetrahydrofuran at -78 - -40℃;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran at -40 - 0℃;
...Expand
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

tert-butyl (4-(trifluoromethyl)phenyl)carbamate
141940-37-6

tert-butyl (4-(trifluoromethyl)phenyl)carbamate

N-[2-[(5-chloro-2-methoxyphenyl) carbonyl]-4-(trifluoromethyl) phenyl]aminocarboxylic acid, 1,1-dimethylethyl ester
221113-30-0

N-[2-[(5-chloro-2-methoxyphenyl) carbonyl]-4-(trifluoromethyl) phenyl]aminocarboxylic acid, 1,1-dimethylethyl ester

Conditions
ConditionsYield
Stage #1: tert-butyl (4-(trifluoromethyl)phenyl)carbamate With tert.-butyl lithium In tetrahydrofuran at -78 - -40℃;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran at -40 - 0℃;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

tert-butyl (2-(trifluoromethyl)phenylamino)formate
141940-36-5

tert-butyl (2-(trifluoromethyl)phenylamino)formate

[2-(5-chloro-2-methoxy-benzoyl)-6-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

[2-(5-chloro-2-methoxy-benzoyl)-6-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: tert-butyl (2-(trifluoromethyl)phenylamino)formate With tert.-butyl lithium In tetrahydrofuran at -78 - -40℃;
Stage #2: methyl 5-chloro-2-methoxybenzoate In tetrahydrofuran at -40 - 0℃;
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

(2-amino-phenyl)-(5-chloro-2-methoxy-phenyl)-methanone
474088-40-9

(2-amino-phenyl)-(5-chloro-2-methoxy-phenyl)-methanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: t-BuLi / tetrahydrofuran / -78 - -40 °C
1.2: tetrahydrofuran / -40 - 0 °C
2.1: 3 N HCl / ethanol / Heating
View Scheme
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

(2-amino-5-chloro-phenyl)-(5-chloro-2-methoxy-phenyl)-methanone
474088-58-9

(2-amino-5-chloro-phenyl)-(5-chloro-2-methoxy-phenyl)-methanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: t-BuLi / tetrahydrofuran / -78 - -40 °C
1.2: tetrahydrofuran / -40 - 0 °C
2.1: 3 N HCl / ethanol / Heating
View Scheme
methyl 5-chloro-2-methoxybenzoate
33924-48-0

methyl 5-chloro-2-methoxybenzoate

2-chloro-N-[2-(5-chloro-2-methoxy-benzoyl)-phenyl]-acetamide
474088-45-4

2-chloro-N-[2-(5-chloro-2-methoxy-benzoyl)-phenyl]-acetamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: t-BuLi / tetrahydrofuran / -78 - -40 °C
1.2: tetrahydrofuran / -40 - 0 °C
2.1: 3 N HCl / ethanol / Heating
3.1: pyridine / CH2Cl2
View Scheme

Methyl 5-chloro-2-methoxybenzoate Specification

The CAS register number of Benzoic acid,5-chloro-2-methoxy-, methyl ester is 33924-48-0. It also can be called as Methyl 2-methoxy-5-chlorobenzoate and the systematic name about this chemical is methyl 5-chloro-2-methoxybenzoate. The molecular formula about this chemical is C9H9ClO3 and the molecular weight is 200.62. It belongs to the following product categories which include Aromatic Esters; Benzoic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; C8 to C9; Carbonyl Compounds; Esters and so on.

Physical properties about Benzoic acid,5-chloro-2-methoxy-, methyl ester are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.38; (5)ACD/BCF (pH 7.4): 77.38; (6)ACD/KOC (pH 5.5): 782.51; (7)ACD/KOC (pH 7.4): 782.51; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 49.59 cm3; (13)Molar Volume: 163.2 cm3; (14)Polarizability: 19.66x10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.228 g/cm3; (17)Flash Point: 120.2 °C; (18)Enthalpy of Vaporization: 47.43 kJ/mol; (19)Boiling Point: 237.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0447 mmHg at 25 °C.

Uses of Benzoic acid,5-chloro-2-methoxy-, methyl ester: it can be used to produce C17H24ClN3O2*ClH with cyclooctylguanidine sulfate. This reaction will need reagent of Na, HCl and solvent of methanol. The reaction time is 5 hours with ambient temperature. The yield is about 55.4%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and protective clothing. 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: Clc1cc(c(OC)cc1)C(=O)OC
(2)InChI: InChI=1/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: HPTHYBXMNNGQEF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
(5)Std. InChIKey: HPTHYBXMNNGQEF-UHFFFAOYSA-N

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