Cas no 238403-48-0 (1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane)
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane is a specialized heterocyclic compound featuring a diazepane core substituted with a trifluoromethylpyrimidine moiety. Its unique structure combines the stability of the diazepane ring with the electron-withdrawing properties of the trifluoromethyl group, making it a valuable intermediate in medicinal chemistry and agrochemical research. The compound's pyrimidine component enhances its potential as a building block for biologically active molecules, particularly in the development of kinase inhibitors or antimicrobial agents. Its trifluoromethyl group improves metabolic stability and lipophilicity, which can be advantageous in drug design. The compound is typically used in controlled research environments due to its precise reactivity profile.
238403-48-0 structure
Product Name:1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane
CAS No:238403-48-0
MF:C10H13F3N4
MW:246.232231855392
MDL:MFCD00728997
CID:245513
PubChem ID:2782067
Update Time:2025-10-19
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane Chemical and Physical Properties
Names and Identifiers
-
- 1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
- 1-[4-(Trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane
- 1H-1,4-Diazepine,hexahydro-1-[4-(trifluoromethyl)-2-pyrimidinyl]-
- AKOS005071991
- MFCD00728997
- A816931
- 238403-48-0
- 1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1,4-diazepane
- F30178
- SB58256
- 1-[4-(Trifluoromethyl)pyrimid-2-yl]homopiperazine
- W-206857
- CS-0312872
- FT-0607155
- CB-0810
- SCHEMBL2005654
- 1-[4-(trifluoromethyl)pyrimidin-2-yl]homopiperazine
- Maybridge1_000269
- DTXSID10381918
- XVAZHAVSZFQOOQ-UHFFFAOYSA-N
- HMS542E05
- 1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane
-
- MDL： MFCD00728997
- Inchi： 1S/C10H13F3N4/c11-10(12,13)8-2-4-15-9(16-8)17-6-1-3-14-5-7-17/h2,4,14H,1,3,5-7H2
- InChI Key： XVAZHAVSZFQOOQ-UHFFFAOYSA-N
- SMILES： FC(C1=CC=NC(=N1)N1CCNCCC1)(F)F
Computed Properties
- Exact Mass: 246.10900
- Monoisotopic Mass: 246.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 41A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.259
- Melting Point: 50 °C
- Boiling Point: 346.5°C at 760 mmHg
- Flash Point: 163.4°C
- Refractive Index: 1.48
- PSA: 41.05000
- LogP: 1.68890
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane Security Information
- Signal Word：warning
- Hazard Statement： Irritant
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36/37/39-S45
-
Hazardous Material Identification：
- Safety Term：S26;S36/37/39;S45
- HazardClass：IRRITANT
- Risk Phrases：R34
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 005907-5g |
1-[4-(Trifluoromethyl)pyrimid-2-yl]homopiperazine |
238403-48-0 | 97% | 5g |
￡225.00 | 2022-03-01 | |
| Fluorochem | 005907-10g |
1-[4-(Trifluoromethyl)pyrimid-2-yl]homopiperazine |
238403-48-0 | 97% | 10g |
￡440.00 | 2022-03-01 | |
| Chemenu | CM165159-5g |
1-[4-(Trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane |
238403-48-0 | 95% | 5g |
$317 | 2021-08-05 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T300618-1g |
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane |
238403-48-0 | 97% | 1g |
￥514.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T300618-10g |
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane |
238403-48-0 | 97% | 10g |
￥2986.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T300618-5g |
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane |
238403-48-0 | 97% | 5g |
￥1853.90 | 2023-08-31 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC12054-25g |
1-(4-(trifluoromethyl)pyrimidin-2-yl)-1,4-diazepane |
238403-48-0 | 95% | 25g |
$1385 | 2023-09-07 | |
| Matrix Scientific | 046136-500mg |
1-[4-(Trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane, >95% |
238403-48-0 | >95% | 500mg |
$97.00 | 2023-09-06 | |
| Matrix Scientific | 046136-1g |
1-[4-(Trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane, >95% |
238403-48-0 | >95% | 1g |
$149.00 | 2023-09-06 | |
| Matrix Scientific | 046136-5g |
1-[4-(Trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane, >95% |
238403-48-0 | >95% | 5g |
$472.00 | 2023-09-06 |
1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
238403-48-0 (1-4-(Trifluoromethyl)pyrimidin-2-yl-1,4-diazepane) Related Products
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