2-Chloro-3,4-dimethoxybenzaldehyde

Basic Information

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CAS Number

5417-17-4

Molecular Formula

C9H9ClO3

Molecular Weight

200.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

69.0 to 73.0 deg-C

Boiling Point

300.9℃ at 760 mmHg

Density

1.245

Flash Point

130.8 °C

Refractive Index

1.549

SMILES

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COC1=C(C(=C(C=C1)C=O)Cl)OC

InChI

InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3

InChIKey

SAWHDJTZESXNMM-UHFFFAOYSA-N

LogP

2.1696999999999997

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

174

Safety Information

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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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

C1997
5417-17-4
NSC7375
CKN4YMM777
DTXSID30202515
A830008
MFCD00084942
chloroveratraldehyde
CS-W015592
W-105665
2-chloro-3,4-dimethoxy-benzaldehyde
Z1142707216
2-Chloro-3,4-dimethoxybenzaldehyde, 98%
PS-4591
AMY2968
CL8263
SAWHDJTZESXNMM-UHFFFAOYSA-N
Veratraldehyde, 2-chloro-
NSC-7375
2-chloro-3,4 dimethoxybenzaldehyde
NSC 7375
EINECS 226-515-2
Benzaldehyde, 2-chloro-3,4-dimethoxy-
BB 0253695
NS00032987
EN300-71715
AKOS005171630
2-Chloroveratraldehyde
SY048280
SCHEMBL736351
AC-7640

MDL Number

MFCD00084942

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4)?

2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4) is a white crystalline solid with a molecular weight of 234.03 g/mol. It has a slight aromatic odor. The compound is moderately soluble in water and soluble in organic solvents like ethanol and acetone. It is an electrophile and can undergo reactions such as nucleophilic substitution and condensation. It is stable under normal conditions but should be protected from strong bases and reducing agents.

How is 2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4) typically synthesized?

2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4) can be synthesized via the reduction of 2-chloro-3,4-dimethoxybenzaldehyde with sodium borohydride in an aqueous solution. Alternatively, it can be synthesized by treating 2-chloro-3,4-dimethoxybenzoyl chloride with methanol in the presence of a catalyst like triethylamine. The yield is typically around 75-80%, and the reaction is carried out under mild conditions to ensure selectivity.

What industries use 2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4)?

2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring aromatic compounds as intermediates. It is also utilized in the production of dyes and pigments, as a precursor in organic synthesis, and in the development of sensors and semiconductors due to its functional groups and reactivity.

What precautions should be taken when handling 2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4)?

When handling 2-Chloro-3,4-dimethoxybenzaldehyde (CAS: 5417-17-4), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate spill kits, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.