Cas no 42872-73-1 (2-Bromo-4-methylbenzonitrile)
2-Bromo-4-methylbenzonitrile is a halogenated aromatic nitrile compound with the molecular formula C?H?BrN. It serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine substituent enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the nitrile group offers further functionalization potential. Its methyl group contributes to steric and electronic modulation, making it valuable for tailored molecular design. The compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Its well-defined structure and reactivity profile make it a preferred choice for researchers developing complex organic frameworks.
2-Bromo-4-methylbenzonitrile structure
Product Name:2-Bromo-4-methylbenzonitrile
CAS No:42872-73-1
MF:C8H6BrN
MW:196.043941020966
MDL:MFCD00158968
CID:95203
PubChem ID:820802
Update Time:2025-05-27
2-Bromo-4-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-4-methylbenzonitrile
- Benzonitrile, 2-bromo-4-methyl-
- KSC497O0B
- 2-bromo-4-methyl-benzonitrile
- 4-methyl-2-bromo benzonitrile
- JWCMJJIZYDCGTE-UHFFFAOYSA-N
- 2-bromo-4-methylbenzenecarbonitrile
- DT1683
- WT1582
- SBB091940
- RW3565
- FCH1122163
- TRA0048290
- ZB01085
- SY017091
- OR345343
- BB
-
- MDL： MFCD00158968
- Inchi： 1S/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
- InChI Key： JWCMJJIZYDCGTE-UHFFFAOYSA-N
- SMILES： BrC1=C(C#N)C=CC(C)=C1
Computed Properties
- Exact Mass: 194.96800
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- Topological Polar Surface Area: 23.8
Experimental Properties
- Melting Point: 50-55?°C
- Boiling Point: 110°C/5mm
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C - PSA: 23.79000
- LogP: 2.62918
2-Bromo-4-methylbenzonitrile Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302
- Hazardous Material transportation number：UN 3439
- WGK Germany：3
- Hazard Category Code： 22
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22
- HazardClass：IRRITANT, IRRITANT-HARMFUL
- Storage Condition：Sealed in dry,Room Temperature
2-Bromo-4-methylbenzonitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2-Bromo-4-methylbenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B824493-100g |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | ≥90%(GC) | 100g |
￥740.00 | 2022-09-29 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 697206-5G |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 97% | 5G |
￥345.31 | 2022-02-24 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 697206-25G |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 97% | 25G |
￥569.8 | 2022-02-24 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | ARK-2445-500g |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 95% | 500g |
$450 | 2023-09-07 | |
| TRC | B697043-100mg |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B697043-250mg |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B697043-500mg |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 500mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B697043-1g |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 1g |
$ 98.00 | 2023-04-18 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BY669-100g |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 98% | 100g |
￥919.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BY669-25g |
2-Bromo-4-methylbenzonitrile |
42872-73-1 | 98% | 25g |
￥263.0 | 2022-05-30 |
2-Bromo-4-methylbenzonitrile Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
(CAS:42872-73-1)2-BROMO-4-METHYLBENZONITRILE
Order Number:sfd20315
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Email:[email protected]
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:42872-73-1)2-Bromo-4-methylbenzonitrile
Order Number:A6954
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):364.0
Email:[email protected]
2-Bromo-4-methylbenzonitrile Related Literature
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1. NotesM. S. Gibson,John McLean,A. H. Clark,C. A. Coulson,B. J. McDonald,J. B. Fardon,W. V. Farrar,R. N. Haszeldine,F. Smith,G. S. Mill,R. Campbell,P. L. Robinson,Emrys R. H. Jones,Frederick G. Mann,D. H. R. Barton,W. Carruthers,K. H. Overton,J. L. Barclay,A. J. Cleaver,A. B. Foster,W. G. Overend,Usha Rakshit,K. C. Bhattacharyya,J. C. Bardhan,Helena Bradbury,F. J. Smith,Patricia J. Earle,Muriel L. Tomlinson,Rita A. Gregory,J. W. Barton,J. F. W. McOmie,B. J. P. Alles,A. Kandiah,M. U. S. Sultanbawa J. Chem. Soc. 1956 776
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