Cas no 7745-91-7 (3-Bromo-4-methylaniline)
3-Bromo-4-methylaniline Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-methylaniline
- 3-Bromo-1,4-toluidine
- 3-bromo-4-methyl-benzenamin
- 3-Bromo-4-methyl-phenylamine
- 3-bromo-p-toluidin
- p-Toluidine, 3-bromo-
- 4-AMINO-2-BROMOTOLUENE
- 3-bromo-4-methyl-aniline
- 3-bromo-4-methylphenylamine
- 3-bromo-N,N,4-trimethylaniline
- 3-BROMO-PARA-TOLUIDINE
- 9CI.3-Bromo-p-toluidine
- p-Toluidine,3-bromo
- 3-Bromo-p-toluidine
- Benzenamine, 3-bromo-4-methyl-
- 3-bromo-4-methylbenzenamine
- Benzenamine, 3-bromo-4-methyl- (9CI)
- GRXMMIBZRMKADT-UHFFFAOYSA-N
- NSC139873
- PubChem5336
- 3-bromo4-methylaniline
- 2-bromo-4-aminotoluene
- 3
- 3-bromo-4-methyl aniline
- AKOS001419551
- SR-01000529127-1
- F0001-1998
- GRXMMIBZRMKADT-UHFFFAOYSA-
- BDBM626131
- BRN 1562057
- B2354
- NS00037919
- EINECS 231-807-8
- MFCD00134176
- NSC 139873
- FT-0615249
- SCHEMBL347584
- WLN: ZR CE D1
- 3-Bromo-4-methylaniline, 98%
- 7745-91-7
- PS-5886
- AC-3658
- W-104316
- EN300-29711
- 4-12-00-01991 (Beilstein Handbook Reference)
- NSC-139873
- Z285720874
- InChI=1/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
- AM20060860
- CS-W007815
- DTXSID00228161
- A9801
- SR-01000529127
- 3-Bromo-4-methylaniline,98%
- DB-024243
- STK762574
- SY004196
- aniline, 3-bromo-4-methyl-
-
- MDL: MFCD00134176
- Inchi: 1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
- InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=CC=1C)N
- BRN: 1562057
Computed Properties
- Exact Mass: 184.98400
- Monoisotopic Mass: 184.984
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 94.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 26
Experimental Properties
- Color/Form: Not determined
- Density: 1.4700 (rough estimate)
- Melting Point: 27-30?°C (lit.)
- Boiling Point: 254-257?°C(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: 1.611-1.613
- Water Partition Coefficient: Insoluble in water.
- PSA: 26.02000
- LogP: 2.92090
- Sensitiveness: Sensitive to light
3-Bromo-4-methylaniline Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H301,H315,H319,H335
- Warning Statement: P261,P301+P310,P305+P351+P338
- Hazardous Material transportation number:UN 2811 6.1/PG 3
- WGK Germany:3
- Hazard Category Code: 25-36/37/38
- Safety Instruction: S26-S45-S37/39-S28A
- RTECS:XU4375000
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Keep in dark place,Inert atmosphere,2-8°C
- Risk Phrases:R25; R36/37/38
- Packing Group:III
- Safety Term:6.1
- Packing Group:III
- Hazard Level:6.1
3-Bromo-4-methylaniline Customs Data
- HS CODE:2921430090
- Customs Data:
China Customs Code:
2921430090Overview:
2921430090 Toluidine and its derivatives and their salts. 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, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union
Summary:
HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-Bromo-4-methylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 360619-5G |
3-Bromo-4-methylaniline |
7745-91-7 | 98% | 5G |
¥422.87 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B803780-500g |
3-Bromo-4-methylaniline |
7745-91-7 | 98% | 500g |
¥1,412.00 | 2022-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B803780-5g |
3-Bromo-4-methylaniline |
7745-91-7 | 98% | 5g |
¥36.00 | 2022-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B803780-25g |
3-Bromo-4-methylaniline |
7745-91-7 | 98% | 25g |
¥113.00 | 2022-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B803780-100g |
3-Bromo-4-methylaniline |
7745-91-7 | 98% | 100g |
¥378.00 | 2022-09-02 | |
| TRC | B685100-500mg |
3-Bromo-4-methylaniline |
7745-91-7 | 500mg |
$ 52.00 | 2023-09-08 | ||
| TRC | B685100-1g |
3-Bromo-4-methylaniline |
7745-91-7 | 1g |
$ 58.00 | 2023-09-08 | ||
| TRC | B685100-2g |
3-Bromo-4-methylaniline |
7745-91-7 | 2g |
$ 69.00 | 2023-09-08 | ||
| TRC | B685100-5g |
3-Bromo-4-methylaniline |
7745-91-7 | 5g |
$ 92.00 | 2023-04-18 | ||
| TRC | B685100-10g |
3-Bromo-4-methylaniline |
7745-91-7 | 10g |
$ 110.00 | 2023-04-18 |
3-Bromo-4-methylaniline Suppliers
3-Bromo-4-methylaniline Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 3-Bromo-4-methylaniline
Recent Advances in the Application of 3-Bromo-4-methylaniline (CAS: 7745-91-7) in Chemical Biology and Pharmaceutical Research
3-Bromo-4-methylaniline (CAS: 7745-91-7) is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals. Recent studies have highlighted its versatile applications in medicinal chemistry, particularly in the development of novel therapeutic agents. This research briefing provides an overview of the latest advancements involving this compound, focusing on its synthetic utility, biological activity, and potential industrial applications.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the use of 3-Bromo-4-methylaniline as a key building block in the synthesis of potent kinase inhibitors. The researchers utilized its bromo substituent for efficient palladium-catalyzed cross-coupling reactions, enabling rapid diversification of the molecular scaffold. This approach led to the discovery of several compounds showing promising activity against cancer-associated protein kinases, with IC50 values in the low nanomolar range.
In the field of antimicrobial research, a team from the University of Cambridge recently reported (Nature Communications, 2024) on the development of novel antibacterial agents derived from 3-Bromo-4-methylaniline. The compound's structure was modified to create a series of analogues that exhibited significant activity against multidrug-resistant Gram-positive bacteria, including MRSA strains. Mechanistic studies revealed that these derivatives interfere with bacterial cell wall biosynthesis, representing a potentially new class of antibiotics.
From a synthetic chemistry perspective, advances in continuous flow technology have improved the production processes for 3-Bromo-4-methylaniline. A 2024 paper in Organic Process Research & Development described an optimized, scalable synthesis route that reduces hazardous waste generation by 40% compared to traditional batch methods. This development is particularly important given the increasing industrial demand for this intermediate in pharmaceutical manufacturing.
The compound has also found applications in materials science. Recent work published in Advanced Materials (2024) demonstrated its utility as a precursor for organic semiconductors. When incorporated into conjugated polymers, 3-Bromo-4-methylaniline-derived monomers contributed to enhanced charge transport properties, opening new possibilities for flexible electronic devices.
Looking forward, the unique chemical properties of 3-Bromo-4-methylaniline continue to inspire innovative applications across multiple disciplines. Current research directions include its potential use in PROTAC (proteolysis targeting chimera) technology for targeted protein degradation, as well as investigations into its metabolic fate and toxicity profile to support safer pharmaceutical development. The compound's versatility ensures it will remain a valuable tool in chemical biology and drug discovery efforts for years to come.
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