Basic Description

Synonyms	WLN: NC1R DE \| 2-(4-bromo phenyl) acetonitrile \| 4-Bromophenylacetonitrile \| 4-bromo-phenyl-acetonitrile \| 4-bromophenyl-acetonitrile \| AM-879/41567861 \| EINECS 240-602-2 \| A920103 \| Benzeneacetonitrile, 4-bromo- \| 4-Bromophenylacetonitrile, 98% \| (4-brom
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	4-Bromophenylacetonitrile undergoes reduction using 1,1,3,3-tetramethyldisiloxane activated by a non-toxic titanium(IV) isopropoxide to yield 4-bromophenylethylamine 4-Bromophenylacetonitrile has been used in the synthesis of : ? new fluorene-based alternating polymers ? light-emitting copolymer, poly(N 4,N 4-bis-(4-phenyl)-N 4,N 4′-bis-[4-(2-ethylhexyloxy)phenyl]-biphenyl-4,4′-diamine-co-1,2-bis(4′-phenyl)-1-(9′′,9′′-dihexyl-3-fluorenyl)ethane) using a Yamamoto coupling reaction ? N-methyl-3,4-bis(4-(N-(1-naphthyl)phenylamino)phenyl)maleimide, a novel non-doped red organic light-emitting diode (OLED) material

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl cyanides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl cyanides
Alternative Parents	Bromobenzenes Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488183065
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183065
IUPAC Name	2-(4-bromophenyl)acetonitrile
INCHI	InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey	MFHFWRBXPQDZSA-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC#N)Br
Isomeric SMILES	C1=CC(=CC=C1CC#N)Br
WGK Germany	3
RTECS	AL8090000
UN Number	1694(liquid)3449(solid)
Packing Group	I
Molecular Weight	196.04
Beilstein	9451
Reaxy-Rn	1861069
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861069&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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16 results found

Lot Number	Certificate Type	Date	Item
E2529018	Certificate of Analysis	Jun 04, 2025	B100849
E2324078	Certificate of Analysis	Feb 11, 2025	B100849
H2401104	Certificate of Analysis	Jun 14, 2024	B100849
H2401105	Certificate of Analysis	Jun 14, 2024	B100849
J2421378	Certificate of Analysis	Jun 14, 2024	B100849
A2214317	Certificate of Analysis	Oct 12, 2023	B100849
A2214313	Certificate of Analysis	Oct 12, 2023	B100849
A2214315	Certificate of Analysis	Oct 12, 2023	B100849
A2214316	Certificate of Analysis	Oct 12, 2023	B100849
L1913067	Certificate of Analysis	Jul 12, 2023	B100849
H2131094	Certificate of Analysis	Jun 06, 2023	B100849
C2126081	Certificate of Analysis	Jan 11, 2023	B100849
C2126083	Certificate of Analysis	Jan 11, 2023	B100849
C2126082	Certificate of Analysis	Jan 11, 2023	B100849
C2126084	Certificate of Analysis	Jan 11, 2023	B100849
E2324076	Certificate of Analysis	Sep 06, 2021	B100849

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Chemical and Physical Properties

Flash Point(°F)	235.4 °F
Flash Point(°C)	152℃
Boil Point(°C)	118°C/3mmHg
Melt Point(°C)	47-49°C
Molecular Weight	196.040 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.968 Da
Monoisotopic Mass	194.968 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Shuo Xiang, Arshad Khan, Zeyan Zhou, Bingling He, Xin Wang, Binju Wang, Qunhong Weng. (2022) Photocatalytic hydrogen evolution from water based on Zn–terpyridine 2D coordination nanosheets. Journal of Materials Chemistry A, 10 (45): (24345-24352).
2. Jianwen Tian, Muzhou Teng, Mu Song, Zhijia Li, Xiaoyong Zhang, Youqin Xu. (2021) A feasible molecular engineering for bright Π-conjugation free radical photosensitizers with aggregation-induced emission. DYES AND PIGMENTS, 194 (109651).
3. Lingchen Meng, Shan Jiang, Meiyu Song, Fei Yan, Wei Zhang, Bin Xu, Wenjing Tian. (2020) TICT-Based Near-Infrared Ratiometric Organic Fluorescent Thermometer for Intracellular Temperature Sensing. ACS Applied Materials & Interfaces, 12 (24): (26842–26851).
4. Liucheng Mao, Meiying Liu, Dazhuang Xu, Qing Wan, Qiang Huang, Ruming Jiang, Yingge Shi, Fengjie Deng, Xiaoyong Zhang, Yen Wei. (2017) Fabrication and biological imaging of polyhedral oligomeric silsesquioxane cross-linked fluorescent polymeric nanoparticles with aggregation-induced emission feature. APPLIED SURFACE SCIENCE, 423 (469).

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SKU	Size	Availability	Price
B100849-5g	5g	4	$9.90
B100849-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B100849-25g	25g	4	$29.90
B100849-100g	100g	3	$49.90
B100849-500g	500g	2	$222.90

4-Bromophenylacetonitrile - 99%, high purity , CAS No.16532-79-9