Methyl 4-(N-hydroxycarbamimidoyl)benzoate

Basic Information

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CAS Number

65695-05-8

Molecular Formula

C9H10N2O3

Molecular Weight

194.19 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

172-174

Boiling Point

381.5°C at 760 mmHg

SMILES

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COC(=O)c1ccc(cc1)C(=N)NO

InChI

InChI=1S/C9H10N2O3/c1-14-9(12)7-4-2-6(3-5-7)8(10)11-13/h2-5,13H,1H3,(H2,10,11)

InChIKey

IGHWNCLZGNNKBN-UHFFFAOYSA-N

LogP

0.7773699999999999

Topological Polar Surface Area

82.41000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

232

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzoic acid,4-[(hydroxyamino)iminomethyl]-, methyl ester
4-[(HYDROXYAMINO)IMINOMETHYL]-BENZOIC ACID, METHYL ESTER
Methyl 4-(N-hydroxycarbamimidoyl)benzoate
methyl 4-[(Z)-amino(hydroxyimino)methyl]benzoate
Methyl 4-[amino(hydroxyimino)methyl]-benzenecarboxylate
4-(carbomethoxy)benzamidoxime
4-(methyl carboxy)-benzamidoxime
4-carboxylbenzohydroxamamide methyl ester
Benzoic acid,4-[(hydroxyamino)iminomethyl]-,methyl ester (9CI)
METHYL 4-[AMINO(HYDROXYIMINO)METHYL]BENZENECARBOXYLATE
Methyl 4-[amino(hydroxyimino)methyl]benzoate
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
methyl 4-(amino(hydroxyimino)methyl)benzoate
methyl 4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
(Z)-Methyl 4-(N'-hydroxycarbamimidoyl)benzoate
4-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester
SBB091724
BBL023585
STL284689
HTS028063
9661AA

MDL Number

MFCD08689689

Customs Code

2925290090

FAQ

What regulatory guidelines apply to Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8)?

Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazard communication. It also falls under the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations and may require FDA/EPA registration for commercial use. Ensure to follow local and national regulations for storage, handling, and disposal.

Are there alternatives to Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8) in synthesis?

For synthesis, alternatives like methyl 4-acetylbenzoate or methyl 4-formylbenzoate can be used as substitutes. These compounds offer similar functional groups and can serve as effective precursors in various chemical reactions. However, their availability and cost may vary.

What is the market or research trend for Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8)?

Market trends for Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8) are influenced by its use in pharmaceuticals and agrochemicals. Research is focusing on its role as an intermediate in the synthesis of new drugs and biocides. Increasing demand in emerging economies and ongoing R&D efforts are driving market growth.

How should waste containing Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8) be handled?

Waste containing Methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS: 65695-05-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure compliance with local regulations. Implement environmental protection measures to prevent contamination during handling and disposal to protect the environment and human health.