Cas no 876938-56-6 (Methyl 5-bromo-3-methylthiophene-2-carboxylate)

Methyl 5-bromo-3-methylthiophene-2-carboxylate structure

876938-56-6 structure

Product Name:Methyl 5-bromo-3-methylthiophene-2-carboxylate

CAS No:876938-56-6

MF:C₇H₇BrO₂S

MW:235.098280191422

MDL:MFCD11045160

CID:1915739

PubChem ID:53438912

Update Time:2024-10-26

Methyl 5-bromo-3-methylthiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

- Methyl 5-Bromo-3-methylthiophene-2-carboxylate
- 5-bromo-3-methyl-2-Thiophenecarboxylic acid methyl ester
- 2-Thiophenecarboxylic acid, 5-bromo-3-methyl-, methyl ester
- METHYL5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLATE
- SHCAFAUPTCPXRD-UHFFFAOYSA-N
- 7112AJ
- TRA0080756
- FCH1401917
- SY022823
- 5-Bromo-3-methylthiophene-2-carboxylic acid methyl ester
- AC2449
- MFCD11045160
- CS-11504
- XH0922
- CS-0112894
- DB-077083
- BKB93856
- SCHEMBL2730725
- DTXSID80701583
- AKOS027256644
- 876938-56-6
- Methyl 5-bromo-3-methylthiophene-2-carboxylate
- MDL： MFCD11045160
- Inchi： 1S/C7H7BrO2S/c1-4-3-5(8)11-6(4)7(9)10-2/h3H,1-2H3
- InChI Key： SHCAFAUPTCPXRD-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C)C=C(Br)S1)OC

Computed Properties

Exact Mass: 233.93500
Monoisotopic Mass: 233.935
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 11
Rotatable Bond Count: 2
Complexity: 163
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 54.5
XLogP3: 3.2

Experimental Properties

Color/Form: No data available
Density: 1.6±0.1 g/cm3
Melting Point: No data available
Boiling Point: 261.3±35.0 °C at 760 mmHg
Flash Point: 111.8±25.9 °C
PSA: 54.54000
LogP: 2.60560

Methyl 5-bromo-3-methylthiophene-2-carboxylate Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care
Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Storage Condition：Store at 4°C,-4At ℃Store…Better

Methyl 5-bromo-3-methylthiophene-2-carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	D851248-5g	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6	95%	5g	4,854.60	2021-05-17
Chemenu	CM324371-5g	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6	95%	5g	$667	2021-08-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M12470-250mg	Methyl 5-bromo-3-methylthiophene-2-carboxylate	876938-56-6		250mg	￥1319.0	2021-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M12470-5g	Methyl 5-bromo-3-methylthiophene-2-carboxylate	876938-56-6		5g	￥8349.0	2021-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M12470-1g	Methyl 5-bromo-3-methylthiophene-2-carboxylate	876938-56-6		1g	￥3199.0	2021-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M12470-10g	Methyl 5-bromo-3-methylthiophene-2-carboxylate	876938-56-6		10g	￥16509.0	2021-09-08
TRC	B486028-50mg	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6		50mg	$ 110.00	2023-04-18
TRC	B486028-250mg	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6		250mg	$ 345.00	2023-04-18
TRC	B486028-500mg	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6		500mg	$ 569.00	2023-04-18
Alichem	A169004928-5g	Methyl 5-Bromo-3-methylthiophene-2-carboxylate	876938-56-6	95%	5g	$784.30	2023-08-31

Methyl 5-bromo-3-methylthiophene-2-carboxylate Production Method

Production Method 1

38239-45-1

876938-56-6

Reaction Conditions

1.1 Reagents: Sulfuric acid Solvents: Methanol ; 0 °C; 4 h, reflux

Reference

Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates

Cao, Xufeng; et al, European Journal of Medicinal Chemistry, 2015, 102, 471-476

Production Method 2

38239-46-2

876938-56-6

Reaction Conditions

1.1 Reagents: Monosodium phosphate , Hydrogen peroxide Solvents: Acetonitrile , Water ; 0 °C; 0.5 h, 0 °C
1.2 Reagents: Sodium chloride Solvents: Water ; 0 °C; 8 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; 0.5 h, 0 °C
1.4 Reagents: Hydrochloric acid Solvents: Water ; pH 2
2.1 Reagents: Sulfuric acid Solvents: Methanol ; 0 °C; 4 h, reflux

Reference

Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates

Cao, Xufeng; et al, European Journal of Medicinal Chemistry, 2015, 102, 471-476

Production Method 3

5834-16-2

876938-56-6

Reaction Conditions

1.1 Reagents: Bromine Solvents: Chloroform ; 0 °C; 4 h, reflux
2.1 Reagents: Monosodium phosphate , Hydrogen peroxide Solvents: Acetonitrile , Water ; 0 °C; 0.5 h, 0 °C
2.2 Reagents: Sodium chloride Solvents: Water ; 0 °C; 8 h, rt
2.3 Reagents: Sodium bicarbonate Solvents: Water ; 0.5 h, 0 °C
2.4 Reagents: Hydrochloric acid Solvents: Water ; pH 2
3.1 Reagents: Sulfuric acid Solvents: Methanol ; 0 °C; 4 h, reflux

Reference

Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates

Cao, Xufeng; et al, European Journal of Medicinal Chemistry, 2015, 102, 471-476

Methyl 5-bromo-3-methylthiophene-2-carboxylate Raw materials

Methyl 5-bromo-3-methylthiophene-2-carboxylate Preparation Products

Methyl 5-bromo-3-methylthiophene-2-carboxylate (876938-56-6)

Methyl 5-bromo-3-methylthiophene-2-carboxylate Related Literature

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Related Categories

Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Thiophenes Thiophene carboxylic acids and derivatives

876938-56-6 (Methyl 5-bromo-3-methylthiophene-2-carboxylate) Related Products

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Cas no 876938-56-6 (Methyl 5-bromo-3-methylthiophene-2-carboxylate)

Methyl 5-bromo-3-methylthiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

Methyl 5-bromo-3-methylthiophene-2-carboxylate Security Information

Methyl 5-bromo-3-methylthiophene-2-carboxylate Pricemore >>

Methyl 5-bromo-3-methylthiophene-2-carboxylate Production Method

Production Method 1

Production Method 2

Production Method 3

Methyl 5-bromo-3-methylthiophene-2-carboxylate Raw materials

Methyl 5-bromo-3-methylthiophene-2-carboxylate Preparation Products

Methyl 5-bromo-3-methylthiophene-2-carboxylate Related Literature

Related Categories

876938-56-6 (Methyl 5-bromo-3-methylthiophene-2-carboxylate) Related Products