Cas no 285977-82-4 (Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI))
285977-82-4 structure
Product Name:Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI)
CAS No:285977-82-4
MF:C7H5FO2
MW:145.129107236862
CID:248534
PubChem ID:16213519
Update Time:2025-04-19
Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI)
- 2,3,5,6-tetradeuterio-4-fluorobenzoic acid
- 2,3,5,
- Benzoic-carboxy-13C-2,3,5,6-d4 acid, 4-fluoro- (9CI)
- DTXSID00584012
- J-017137
- 4-Fluoro(carboxy-~13~C,~2~H_4_)benzoic acid
- 2, 3, 5, 6-tetradeuterio-4-fluorobenzoic acid
- 285977-82-4
- 4-Fluorobenzoic acid-alpha-13C-2,3,5,6-d4, 98 atom % D, 99 atom % 13C
- 4-Fluorobenzoic acid-alpha-13C-2,3,5,6-d4
- 4-Fluorobenzoic acid- alpha -13C-2,3,5,6-d4
-
- Inchi： 1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D,7+1
- InChI Key： BBYDXOIZLAWGSL-YRTBNJHASA-N
- SMILES： FC1C([2H])=C([2H])C([13C](=O)O)=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 145.05581938g/mol
- Monoisotopic Mass: 145.05581938g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 128
- 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: nothing
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Solids
- Melting Point: 182-184?°C(lit.)
- Solubility: Not determined
Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI) Security Information
- WGK Germany：3
- Hazard Category Code： 36/37/38-41-22
- Safety Instruction： 26-36-39
-
Hazardous Material Identification：
Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI) 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. | 491551-100MG |
4-Fluorobenzoic acid-α-<SUP>13</SUP>C-2,3,5,6-d<SUB>4</SUB> |
285977-82-4 | 98 atom % | 100mg |
￥10819.08 | 2023-12-05 |
Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
285977-82-4 (Benzoic-carboxy-13C-2,3,5,6-d4acid, 4-fluoro- (9CI)) Related Products
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