Cas no 96838-56-1 (Pyridine, 3-(bromomethyl)-5-ethyl- (9CI))
96838-56-1 structure
Product Name:Pyridine, 3-(bromomethyl)-5-ethyl- (9CI)
CAS No:96838-56-1
MF:C8H10BrN
MW:200.075701236725
CID:1002056
PubChem ID:13439640
Update Time:2025-04-20
Pyridine, 3-(bromomethyl)-5-ethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 3-(bromomethyl)-5-ethyl- (9CI)
- 3-bromomethyl-5-ethylpyridine
- 5-chloro-3-bromomethylbenzothiophene
- 3-(Bromomethyl)-5-ethylpyridine
- SCHEMBL845159
- XKFHZDPSVYEWJS-UHFFFAOYSA-N
- Pyridine,3-(bromomethyl)-5-ethyl-(9ci)
- 96838-56-1
- Pyridine, 3-(bromomethyl)-5-ethyl-
- DB-289322
-
- Inchi： 1S/C8H10BrN/c1-2-7-3-8(4-9)6-10-5-7/h3,5-6H,2,4H2,1H3
- InChI Key： XKFHZDPSVYEWJS-UHFFFAOYSA-N
- SMILES： BrCC1=CN=CC(=C1)CC
Computed Properties
- Exact Mass: 199.00000
- Monoisotopic Mass: 198.99966g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 95.3
- 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: 2.2
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 2.53890
Pyridine, 3-(bromomethyl)-5-ethyl- (9CI) Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Pyridine, 3-(bromomethyl)-5-ethyl- (9CI) Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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