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2-Bromo-3-methylbenzoic acid structure

2-Bromo-3-methylbenzoic acid

2-Bromo-3-methylbenzoic acid, with the chemical formula C8H7BrO2 and CAS registry number 53663-39-1, is a compound known for its applications in various chemical processes. This white crystalline solid is characterized by its bromine and carboxylic acid functional groups. It is commonly used as a building block in organic synthesis, offering a versatile platform for the introduction of the 2-bromo-3-methylbenzoic acid moiety into different molecules. 2-Bromo-3-methylbenzoic acid is also used as a starting material for the synthesis of pharmaceuticals and agrochemicals. It is important to handle this compound with care, as it may cause irritation to the skin, eyes, and respiratory system. Overall, 2-Bromo-3-methylbenzoic acid is a valuable compound in the field of chemistry, with a wide range of applications.
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1. Names and Identifiers
1.1 Name
2-Bromo-3-methylbenzoic acid
1.2 Synonyms
2-Bromo-3-carboxytoluene; 2-Bromo-3-methyl; 2-Bromo-3-methylbenz; 2-BROMO-3-METHYLBENZOIC ACID; 2-Bromo-m-toluic acid; 2-Bromo-m-toluic acid (COOH=1); 3-methyl-2-bromobenzoic acid; Benzoic acid, 2-bromo-3-methyl-; m-Toluic acid, 2-bromo-;
1.3 CAS No.
53663-39-1
1.4 CID
2735588
1.5 EINECS
611-027-8
1.6 Molecular Formula
C8H7BrO2
1.7 Inchi
InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
1.8 InChkey
LSRTWJCYIWGKCQ-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=C(C(=CC=C1)C(=O)O)Br
1.10 Isomers Smiles
CC1=C(C(=CC=C1)C(=O)O)Br
2. Properties
2.1 Appearance
Off-white Powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
Off-white powder 2-Bromo-3-methylbenzoic acid Preparation Products And Raw materials Raw materials
2.4 Color/Form
Off-white
2.5 pKa
2.92±0.10(Predicted)
2.6 StorageTemp
Sealed in dry,Room Temperature
3. Safety and Handling
3.1 Safety
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:22-24/25
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
WGK Germany:3
HazardClass:IRRITANT
3.2 Specification

Off-white powder
Safety Statements:22-24/25
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
Predict 1H proton NMR  
6. Synthesis Route
53663-39-1Total: 5 Synthesis Route
 
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53663-39-1
53663-39-1 84 Suppliers
 
66790-58-7
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53663-39-1
53663-39-1 84 Suppliers
7. Precursor and Product
precursor:
product:
8. Computed Properties
9. Toltal 78 Suppliers View more
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10. Related Questions
Does a 2-bromo-3-methyl pentane have secondary or tertiary carbon?To have a tertiary carbon one of the carbons is bonded to three other carbons . H2C-CHBr-CHCH3-CH2 Labeling the carbons from left to right #3 is tertiary # 1 carbon has only one carbon bond, #2 carbon..
11. Realated Product Infomation
 
 
 
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