Methyl 3-(4-bromomethyl)cinnamate

Basic Information

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CAS Number

946-99-6

Molecular Formula

C11H11BrO2

Molecular Weight

255.11 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

57-60°C

Boiling Point

333.9°C at 760 mmHg

Flash Point

155.7℃

SMILES

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COC(=O)C=CC1=CC=C(C=C1)CBr

InChI

InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3

InChIKey

ZSRCGGBALFGALF-UHFFFAOYSA-N

LogP

2.7677000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

205

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

Synonyms & References

English

Methyl 3-(4-bromomethyl)cinnamate
4-Bromomethylcinnamic acid methyl ester
3-(4-Brommethyl)-phenyl-propenoic acid methyl ester
Methyl 4-Bromomethylcinnamate
Methyl 4-(Bromomethyl)cinnamate
methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
Methyl 3-(4-(bromomethyl)phenyl)acrylate
Methyl 4-Bromomethyl
METHYL-T-BROMOMETHYL-CINNAMATE
(E)-methyl 3-(4-(bromomethyl)phenyl)acrylate
methyl (2E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
Methyl-3-(4-bromomethyl)cinnamate
methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate
methyl-p-bromomethyl-cinnamate
PubChem8191
ZSRCGGBALFGALF-VOTSOKGWSA-N
4-Bromomethylcinnamicacidmethylester
SBB070882
BBL101052
STL554846
Methy
Cinnamic acid, p-(bromomethyl)-, methyl ester (7CI, 8CI)
Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate (ACI)
3-(4-Bromomethylphenyl)acrylic acid methyl ester
Methyl 4-bromomethylcinnamate
Methyl 4-(bromomethyl)cinnamate
AS-12808
2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester, (E)-
946-99-6
3-[4-(Bromomethyl)phenyl]-2-propenoic Acid Methyl Ester; p-(Bromomethyl)cinnamic Acid Methyl Ester; 3-(4-Bromomethylphenyl)acrylic Acid Methyl Ester;
88738-86-7

MDL Number

MFCD02684186

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6)?

Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) falls under the purview of several regulatory guidelines. It is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the US. Manufacturers and handlers must comply with these guidelines, including proper labeling, reporting of incidents, and safety data sheets (SDS) for workplace exposure and environmental release.

Are there alternatives to Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) in synthesis?

Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) can be synthesized using alternative reagents such as 3-(4-hydroxymethyl)cinnamic acid and bromine. Other alternatives include using analogous compounds like methyl 3-(4-iodomethyl)cinnamate, which can serve similar functions in certain syntheses. These alternatives offer different advantages in terms of reactivity and cost, depending on the specific application.

What is the market or research trend for Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6)?

The market for Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) is driven by its application in the synthesis of pharmaceutical intermediates and agrochemicals. Recent research trends focus on the development of more sustainable and efficient synthesis methods. Additionally, there is increasing interest in exploring its use in materials science and as a precursor for the production of other cinnamic acid derivatives. The demand is expected to grow due to its versatility and broad applicability in various industries.

How should waste containing Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) be handled?

Waste containing Methyl 3-(4-bromomethyl)cinnamate (CAS: 946-99-6) should be collected in appropriate containers and handled according to local hazardous waste regulations. Safe disposal methods include incineration with proper emission controls or professional waste disposal services. Environmental protection measures include ensuring no leakage during storage and transport, and proper labeling of waste containers to prevent accidental exposure. Compliance with regulatory requirements is essential to protect human health and the environment.