| Identification | More | [Name]
4-Bromo-2-methylbenzonitrile | [CAS]
67832-11-5 | [Synonyms]
4-BROMO-2-METHYLBENZONITRILE
TIMTEC-BB SBB005832
4-Bromo-2-Methylbenzonitrile97% | [Molecular Formula]
C8H6BrN | [MDL Number]
MFCD00041461 | [Molecular Weight]
196.04 | [MOL File]
67832-11-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
65-69 °C
| [Boiling point ]
228.5°C (rough estimate) | [density ]
1.5466 (rough estimate) | [refractive index ]
1.6550 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystaline | [color ]
White to Light yellow | [Water Solubility ]
insoluble | [BRN ]
2574103 | [InChI]
InChI=1S/C8H6BrN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3 | [InChIKey]
LPEBMDFRIKYFCF-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(Br)C=C1C | [CAS DataBase Reference]
67832-11-5(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Bromo-2-methylbenzonitrile(67832-11-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust . | [RIDADR ]
3439 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-Bromo-2-methylbenzonitrile serves as a precursor for synthesizing 1,3,5-tris(4-bromo-2-methylphenyl)triazine under acid-catalyzed conditions with triflic acid[1]. The compound is reduced using borane–tetrahydrofuran complex to yield 4-bromo-2-methylbenzylamine[2]. | [References]
[1]
Barbee, D., Barron, A. R. (2019). Scalable synthesis of multi-substituted aryl-phosphonates: Exploring the limits of isoretical expansion and the synthesis of new triazene-based phosphonates. Phosphorus, Sulfur, and Silicon and the Related Elements, 195(3), 231–244. https://doi.org/10.1080/10426507.2019.1673750
[2]
Huang, J., Ma, Z., Peng, X., Yang, Z., Wu, Y., Zhong, G., Ouyang, T., Chen, Z., Liu, Y., Wang, Q., Chen, J., Chen, T., Zeng, Z. (2024). Discovery of Novel Potent and Fast BTK PROTACs for the Treatment of Osteoclasts-Related Inflammatory Diseases. Journal of Medicinal Chemistry, 67(4), 2438–2465. https://doi.org/10.1021/acs.jmedchem.3c01414 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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