Cas no 104704-40-7 (4-\u200bBromo-\u200b1-\u200bmethylisoquinoline)
4-Bromo-1-methylisoquinoline is a halogenated isoquinoline derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. Its bromine substituent enhances reactivity, facilitating cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination, while the methyl group at the 1-position contributes to stability and selectivity. This compound is particularly valuable in the development of bioactive molecules, including potential therapeutic agents targeting neurological and oncological pathways. Its well-defined structure and high purity make it suitable for precise synthetic applications. Storage under inert conditions is recommended to maintain integrity. Handle with standard safety precautions for brominated aromatic compounds.
104704-40-7 structure
Product Name:4-\u200bBromo-\u200b1-\u200bmethylisoquinoline
CAS No:104704-40-7
MF:C10H8BrN
MW:222.081221580505
MDL:MFCD11506150
CID:2118528
PubChem ID:613570
Update Time:2025-05-27
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-1-methyl-isoquinoline
- 4-Bromo-1-methylisoquinoline
- Isoquinoline,4-bromo-1-methyl
- QC-9385
- Isoquinoline, 4-bromo-1-methyl-
- AK162343
- 4-Bromo-1-methylisoquinoline #
- IXDMPRODBWENBR-UHFFFAOYSA-N
- 2678AJ
- FCH1404225
- AX8265683
- DS-7770
- DTXSID60346613
- AKOS024463825
- MFCD11506150
- EN300-305695
- Y10583
- DB-059179
- 4-?Bromo-?1-?methylisoquinoline
- 104704-40-7
- SB30368
- SCHEMBL2345378
- 4-\u200bBromo-\u200b1-\u200bmethylisoquinoline
-
- MDL： MFCD11506150
- Inchi： 1S/C10H8BrN/c1-7-8-4-2-3-5-9(8)10(11)6-12-7/h2-6H,1H3
- InChI Key： IXDMPRODBWENBR-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C)C2C=CC=CC=21
Computed Properties
- Exact Mass: 220.98400
- Monoisotopic Mass: 220.98401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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
- Topological Polar Surface Area: 12.9
- XLogP3: 3.2
Experimental Properties
- Boiling Point: 304.4±22.0°C at 760 mmHg
- PSA: 12.89000
- LogP: 3.30570
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline Security Information
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Sealed in dry,2-8°C
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline Customs Data
- HS CODE：2933499090
- Customs Data：
China Customs Code:
2933499090Overview:
2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B808228-100mg |
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline |
104704-40-7 | 100mg |
$ 201.00 | 2023-04-18 | ||
| TRC | B808228-500mg |
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline |
104704-40-7 | 500mg |
$ 810.00 | 2023-04-18 | ||
| TRC | B808228-1g |
4-?Bromo-?1-?methylisoquinoline |
104704-40-7 | 1g |
$ 1800.00 | 2023-09-08 | ||
| Chemenu | CM145271-1g |
4-Bromo-1-methyl-isoquinoline |
104704-40-7 | 95% | 1g |
$458 | 2021-08-05 | |
| Chemenu | CM145271-5g |
4-Bromo-1-methyl-isoquinoline |
104704-40-7 | 95% | 5g |
$1833 | 2021-08-05 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD290561-100mg |
4-Bromo-1-methylisoquinoline |
104704-40-7 | 95% | 100mg |
￥757.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD290561-250mg |
4-Bromo-1-methylisoquinoline |
104704-40-7 | 95% | 250mg |
￥1217.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD290561-1g |
4-Bromo-1-methylisoquinoline |
104704-40-7 | 95% | 1g |
￥3042.0 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NN966-100mg |
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline |
104704-40-7 | 95+% | 100mg |
1005CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NN966-250mg |
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline |
104704-40-7 | 95+% | 250mg |
2198CNY | 2021-05-08 |
4-\u200bBromo-\u200b1-\u200bmethylisoquinoline Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
104704-40-7 (4-\u200bBromo-\u200b1-\u200bmethylisoquinoline) Related Products
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