| Identification | More | [Name]
4-BROMO-3-METHYLBENZONITRILE | [CAS]
41963-20-6 | [Synonyms]
4-BROMO-3-METHYLBENZONITRILE
3-Methyl-4-bromobenzonitrile
4-Bromo-m-tolunitrile
4-BROMO-3-METHYLBENZONITRILE 98% | [EINECS(EC#)]
628-521-4 | [Molecular Formula]
C8H6BrN | [MDL Number]
MFCD00031538 | [Molecular Weight]
196.04 | [MOL File]
41963-20-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
53-57 °C (lit.) | [Boiling point ]
129-130°C 5mm | [density ]
1.51 | [Fp ]
205 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder | [color ]
Dark yellow | [Water Solubility ]
Insoluble in water. | [BRN ]
2354972 | [InChI]
InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3 | [InChIKey]
SKXUZFJOLNNWIG-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(Br)C(C)=C1 | [CAS DataBase Reference]
41963-20-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2926907090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-bromo-3-methylbenzenecarbonitrile is a nitrile compound for proteomics research & a pharmaceutical intermediate. | [Definition]
4-Bromo-3-methylbenzonitrile (4B3MBN) is almost planar and the derivatives are used like midways in the production of phthalocyanine dyes. The surrogated phthalocyanine dyes are used for DSSC, photo redox responses and photodynamic cancer therapy[1].
| [References]
[1] Shajikumar, R. Raman. “Experimental and Theoretical Spectroscopic Investigations of 4-Bromo-3-methylbenzonitrile.” Oriental Journal Of Chemistry (2018). |
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