Ethyl 3-aminobenzoate methanesulfonate (1:1)

Basic Information

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CAS Number

886-86-2

Molecular Formula

C10H15NO5S

Molecular Weight

261.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

145.0 to 153.0 deg-C

Boiling Point

294.7℃ at 760 mmHg

Density

1.3799 (rough estimate)

Solubility

H2O: 50 mg/mL, clear, colorless

Refractive Index

1.5060 (estimate)

SMILES

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CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O

InChI

InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)

InChIKey

FQZJYWMRQDKBQN-UHFFFAOYSA-N

LogP

0.9495

Topological Polar Surface Area

106.69000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

251

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LC50 (96hr) in rainbow trout: 50.50 mg/l (McKim)

Synonyms & References

English

CS-W012493
W-100390
Tricaine mesilate
Tricaine methane sulfonate
T0941
methanesulfonic acid--ethyl 3-aminobenzoate (1/1)
Q3533237
SY033468
CAS-886-86-2
C10H15NO5S
3-Amino-benzoic acid ethyl ester; compound with methanesulfonic acid
Finquel
Ethyl m-aminobenzoate methane sulfonate
MS 222 (veterinary)
Benzoic acid, ethyl ester, methanesulfonate
MS-222
NCGC00166020-03
Ethyl 3-aminobenzoate, methanesulfonic acid salt
HMS3885O19
Tox21_112290_1
s3682
Ethyl m-aminobenzoate methanesulfonate
3-(ethoxycarbonyl)anilinium methanesulfonate
DTXCID502133
HY-W011777
Tricaine
Ethyl 3-aminobenzoate methanesulfonate
FQZJYWMRQDKBQN-UHFFFAOYSA-N
MFCD00013176
NSC93790
TS-222

MDL Number

MFCD00013176

Customs Code

2923900090

FAQ

What is Ethyl 3-aminobenzoate methanesulfonate (1:1) (CAS: 886-86-2)?

Ethyl 3-aminobenzoate methanesulfonate (1:1) is a chemical compound with the CAS number 886-86-2. It is a salt formed by the combination of ethyl 3-aminobenzoate and methanesulfonic acid in a 1:1 molar ratio. The compound is typically a white crystalline solid with good solubility in polar solvents and is used in various chemical applications due to its stability and reactivity.

What are the main uses of Ethyl 3-aminobenzoate methanesulfonate (1:1) (CAS: 886-86-2)?

Ethyl 3-aminobenzoate methanesulfonate (1:1) is primarily used in pharmaceuticals as an intermediate in the synthesis of drugs. It also finds applications in organic chemistry research, particularly in the development of new compounds. Additionally, it is used in the production of certain dyes and as a buffer in chemical processes due to its acidic properties.

Is Ethyl 3-aminobenzoate methanesulfonate (1:1) (CAS: 886-86-2) safe?

Ethyl 3-aminobenzoate methanesulfonate (1:1) is generally considered safe when handled properly. However, it should be treated with caution, as it may cause irritation to the skin and eyes. Protective gloves and goggles are recommended during handling. It is important to follow safety standards and guidelines to ensure safe use in laboratory and industrial environments.

How should Ethyl 3-aminobenzoate methanesulfonate (1:1) (CAS: 886-86-2) be stored?

Ethyl 3-aminobenzoate methanesulfonate (1:1) should be stored in a cool, dry place away from direct light. It is typically kept in airtight containers to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prevent degradation. Avoid exposure to strong odors or reactive materials to ensure long-term preservation.