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Cas Database

Name	3-methoxybenzenethiol	EINECS	239-617-7
CAS No.	15570-12-4	Density	1.112 g/cm³
PSA	48.03000	LogP	1.98390
Solubility	Not miscible or difficult to mix in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane.	Melting Point	264.4-268.3 °C (decomp)
Formula	C₇H₈OS	Boiling Point	223.5 °C at 760 mmHg
Molecular Weight	140.206	Flash Point	96.1 °C
Transport Information	UN 2810 6.1/PG 3	Appearance	clear colorless to light yellow liquid
Safety	26-36/37-37/39	Risk Codes	20/21/22-36/37/38-22
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	Benzenethiol,m-methoxy- (6CI,7CI,8CI);(m-Methoxyphenyl)thiol;3-Mercaptoanisole;3-Methoxythiophenol;m-Methoxybenzenethiol;m-Methoxythiophenol;	Article Data	26

3-methoxybenzenethiol Synthetic route

: 766-85-8
3-methoxy-1-iodobenzene

: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
Stage #1: 3-methoxy-1-iodobenzene With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 12h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice;	89%
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry;	89%
With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;	85%

: 2388-74-1
1-methoxy-3-methylsulfanyl-benzene

: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine In xylene for 6h; Heating;	88%

: 536-90-3
m-Anisidine

: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
und ueber mehrere Stufen.Diazotization;
With hydrogenchloride; sodium nitrite Diazotization.man traegt in eine waessr. Loesung von xanthogensaurem Kalium bei 85-90grad ein und verseift den entstandenen Ester durch Kochen mit alkoh. Kalilauge;
(i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction;

: 100-66-3
methoxybenzene

A: 696-63-9
4-Methoxybenzenethiol

B: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
With disulfur dichloride; carbon disulfide; aluminium amalgam Destillieren des Reaktionsprodukts unter wenig vermindertem Druck;

: 2388-74-1
1-methoxy-3-methylsulfanyl-benzene

A: 3463-03-4
3-methylsulfanylphenol

B: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
With hydrogenchloride; sodium isopropanethiolate 1)sodium isopropanethiolate,HMPA,120 degC,2.5 h 2)hydrochloric acid; Yield given. Multistep reaction. Yields of byproduct given;

: [Dimethylamino-(3-methoxy-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide

A: 15570-12-4
3-methoxybenzenethiol

B: 632-22-4
tetramethylurea

Conditions

Conditions	Yield
at 20℃; Rate constant; pH=11;

: 3996-32-5
[(3-methoxyphenyl)sulfanyl]acetic acid

A: 15570-12-4
3-methoxybenzenethiol

B: 298-12-4
Glyoxilic acid

Conditions

Conditions	Yield
With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.);

: 55975-74-1
Ethyl-3-methoxyphenyl-disulfid

A: 15570-12-4
3-methoxybenzenethiol

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With triphenylphosphine In 1,4-dioxane; water at 30℃; Rate constant;

: 50667-88-4
S-(3-methoxyphenyl) dimethylcarbamothioate

: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
With potassium hydroxide In methanol Heating;
With sodium hydroxide In methanol

: 248584-43-2
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-3-(3-methoxy-phenylsulfanylmethyl)-9-methyl-6-methylene-octahydro-azuleno[4,5-b]furan-2,8-dione

A: 22489-66-3
grosheimin

B: 15570-12-4
3-methoxybenzenethiol

Conditions

Conditions	Yield
With phosphate buffer In methanol at 37℃; pH=7.4; Kinetics; Hydrolysis;

3-methoxybenzenethiol Chemical Properties

Molecular Structure of 3-methoxybenzenethiol (CAS NO.15570-12-4):

IUPAC Name: 3-methoxybenzenethiol
Empirical Formula: C₇H₈OS
Molecular Weight: 140.2028
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å²
Index of Refraction: 1.565
Molar Refractivity: 41.1 cm³
Molar Volume: 126 cm³
Surface Tension: 37.7 dyne/cm
Density: 1.112 g/cm³
Flash Point: 96.1 °C
Enthalpy of Vaporization: 44.12 kJ/mol
Boiling Point: 223.5 °C at 760 mmHg
Vapour Pressure: 0.143 mmHg at 25°C
EINECS: 239-617-7
Sensitive: Stench
BRN: 2041496
InChI
InChI=1/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
Smiles
c1c(S)cccc1OC
Product Categories: Thiol; Sulphur Derivatives; Phenol&Thiophenol&Mercaptan; Phenoles and thiophenoles; API intermediates; Miscellaneous

3-methoxybenzenethiol Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
F: 13
Hazard Note: Harmful/Stench
HS Code: 29309070

3-methoxybenzenethiol Specification

3-methoxybenzenethiol , with CAS number of 15570-12-4, can be called benzenethiol, 3-methoxy- ; meta-Methoxybenzenethiol ; 3-Mercaptoanisole ; 3-Methoxy Thiophenol ; 3-Methoxythiophenol . It is a clear colorless to light yellow liquid.

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