3D Mol Similar

4-Bromo-3-methylphenol

: Iupac Name：4-bromo-3-methylphenol; CAS No.: 14472-14-1; Molecular Weight：187.036; Modify Date.: 2022-11-23 22:09; Introduction:
4-Bromo-3-methylphenol, with the chemical formula C7H7BrO and CAS registry number 14472-14-1, is a compound known for its applications in various chemical processes. This white to off-white crystalline powder is characterized by its bromine and methyl functional groups. It is commonly used as an intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds. 4-Bromo-3-methylphenol exhibits antimicrobial properties and is often used as a preservative in personal care products and industrial applications. It is also used as a starting material for the synthesis of other brominated compounds. Overall, 4-Bromo-3-methylphenol plays a crucial role in the development of various industries due to its unique chemical properties and versatile applications.
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 4-Bromo-3-methylphenol; 1.2 Synonyms; 2-Bromo-5-hydroxytoluene 3-Methyl-4-bromophenol 4-Bromo-m-cresol m-Cresol, 4-bromo- m-Cresol,4-bromo- (8CI) p-Bromo-m-xylenol Phenol, 4-bromo-3-methyl-

1.3 CAS No.: 14472-14-1

1.4 CID: 72857

1.5 EINECS(EC#): 238-464-3

1.6 Molecular Formula: C7H7BrO (isomer)

1.7 Inchi: InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

1.8 InChIkey: GPOQODYGMUTOQL-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=C(C=CC(=C1)O)Br

1.10 Isomers Smiles: CC1=C(C=CC(=C1)O)Br

2. Properties

2.1 Density: 142

2.1 Melting point: 57-61℃

2.1 Boiling point: 142-145℃ (23 mmHg)

2.1 Refractive index: 1.59

2.1 Flash Point: 103.4 °C

2.1 Precise Quality: 185.96800

2.1 PSA: 20.23000

2.1 logP: 2.46310

2.1 Appearance: White to off-white Crystalline Powder or Chunks

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: white to off-white crystalline powder or chunks 4-Bromo-3-methylphenolSupplier

2.4 Color/Form: White to off-white

2.5 pKa: 9.51±0.18(Predicted)

2.6 StorageTemp: Inert atmosphere,Room Temperature

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: S26;S37/39

3.1 Packing Group: III

3.1 Hazard Class: IRRITANT

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

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	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

6. Synthesis Route

14472-14-1Total: 15 Synthesis Route

108-39-4 136 Suppliers

14472-14-1 102 Suppliers

Literatures:
Kajigaeshi, Shoji; Kakinami, Takaaki; Okamoto, Tsuyoshi; Nakamura, Hiroko; Fujikawa, Masahiro Bulletin of the Chemical Society of Japan, 1987 , vol. 60, # 11 p. 4187 - 4189
Yield: ~94%

108-39-4 136 Suppliers

14472-14-1 102 Suppliers

553-97-9 52 Suppliers

Literatures:
US6693221 B1, ; Page column 7-8 ;
Yield: null

108-39-4 136 Suppliers

14472-14-1 102 Suppliers

14847-51-9 22 Suppliers

Literatures:
Tetrahedron Letters, , vol. 38, # 27 p. 4865 - 4868
Yield: ~86%

View all

7. Precursor and Product

precursor:

125029-51-8

27060-75-9

2973-80-0

108-39-4

6933-10-4

93684-15-2

1972-28-7

139125-86-3

product :

100-84-5

85598-12-5

58402-70-3

90971-89-4

105731-18-8

27060-75-9

1133116-39-8

68293-32-3

5456-94-0

17671-75-9

22012-59-5

50342-17-1

179894-11-2

847560-49-0

33147-10-3

88187-82-0

56037-74-2

13321-76-1

452-70-0

182500-28-3

74204-00-5

View all

8. Other Information

8.0 BRN: 1859122

8.1 Chemical Properties: white to off-white crystalline powder or chunks

9. Computational chemical data

Molecular Weight: 187.036g/mol
Molecular Formula: C₇H₇BrO
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 185.96803
Monoisotopic Mass: 185.96803
Complexity: 94.9
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBgIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABrASAmAAyBoAAAgCAAiBCAAACAAAgIAQIiAAGCKgIJiKCERKAcAAkwBEImheAwBAOABABAAAAgAAAIAIAAAEAAAAAAAAAAA==

10. Question & Answer

How can the traditional synthesis method of 4-methyl-3-bromo phenol be improved? Jan 23 2024
4-methyl -3- The synthesis method of bromo Phenol and its improvement are a striking research field. Through innovative methods and improved technologies, we can effectively synthesize this compound...

11. Recommended Suppliers

Global94SuppliersView all >>

Hubei Jiutian Bio-medical Technology Co., Ltd Diamond member

5YRS

Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
Tel:86-173-54350817
Email:Ryan@jiutian-bio.com

4-Bromo-3-methylphenol

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/09/17

Inquire

CANGZHOU ENKE PHARMA-TECH CO.,LTD Diamond member

2YRS

Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
Tel:0086-317-5296180
Email:sale@enkepharma.com

4-Bromo-3-methylphenol