Cas no 1029720-67-9 (5-Bromo-3-chloroisoquinoline)
5-Bromo-3-chloroisoquinoline is a halogenated isoquinoline derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. Its distinct bromo and chloro substituents at the 5- and 3-positions enhance its reactivity, making it valuable for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig aminations, to construct complex heterocyclic frameworks. The compound’s high purity and stability under standard conditions ensure reliable performance in medicinal chemistry applications, particularly in the development of bioactive molecules. Its well-defined structure also facilitates precise modifications for targeted drug discovery efforts. Suitable for research-scale and industrial use, it is handled under controlled conditions to maintain integrity.
5-Bromo-3-chloroisoquinoline structure
Product Name:5-Bromo-3-chloroisoquinoline
CAS No:1029720-67-9
MF:C9H5BrClN
MW:242.499700307846
MDL:MFCD11044700
CID:1040439
PubChem ID:51341979
Update Time:2025-06-07
5-Bromo-3-chloroisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromo-3-chloroisoquinoline
- 1H-Indazole,5-bromo-3-chloro-6-nitro
- 5-broMo-3-chloro-6-nitro-1H-indazole
- WSNRPWWRYCNOJB-UHFFFAOYSA-N
- 5-Bromo 3-chloroisoquinoline
- PS-7553
- SB12416
- MFCD11044700
- EN300-252968
- CS-0159872
- DB-368273
- AKOS016004657
- 1029720-67-9
- SY069798
- SCHEMBL12930800
- DA-16145
-
- MDL： MFCD11044700
- Inchi： 1S/C9H5BrClN/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H
- InChI Key： WSNRPWWRYCNOJB-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2C=NC(=CC=21)Cl
Computed Properties
- Exact Mass: 240.92900
- Monoisotopic Mass: 240.92939g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 3.65070
5-Bromo-3-chloroisoquinoline 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%
5-Bromo-3-chloroisoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189006777-250mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 250mg |
$418.18 | 2023-09-04 | |
| Alichem | A189006777-1g |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 1g |
$1066.80 | 2023-09-04 | |
| TRC | B683998-10mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 10mg |
$ 69.00 | 2023-04-18 | ||
| TRC | B683998-25mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 25mg |
$ 133.00 | 2023-04-18 | ||
| TRC | B683998-50mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 50mg |
$ 196.00 | 2023-04-18 | ||
| TRC | B683998-100mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 100mg |
$ 282.00 | 2023-04-18 | ||
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD236384-100mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 100mg |
￥390.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD236384-250mg |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 250mg |
￥680.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD236384-1g |
5-Bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 1g |
￥1680.0 | 2022-03-01 | |
| Chemenu | CM111197-1g |
5-bromo-3-chloroisoquinoline |
1029720-67-9 | 95% | 1g |
$580 | 2021-08-06 |
5-Bromo-3-chloroisoquinoline Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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