Cas no 91742-47-1 (Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI))
91742-47-1 structure
Product Name:Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI)
CAS No:91742-47-1
MF:C7H4ClFO
MW:159.550119400024
CID:802792
PubChem ID:16211856
Update Time:2025-04-19
Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI)
- 4-FLUOROBENZOYL CHLORIDE, [CARBONYL-13C]
- 4-Fluorobenzoyl-Carbonyl-13C Chloride
- 91742-47-1
- Benzoyl-carbonyl-13cchloride,4-fluoro-(9ci)
- 4-Fluorobenzoyl-(carbonyl-13C) chloride, 99 atom % 13C
- CID 16211856
- 4-Fluoro(carbonyl-~13~C)benzoyl chloride
- DTXSID90583498
- 4-Fluoro-Benzoyl-Carbonyl-13C chloride
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- Inchi： 1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H/i7+1
- InChI Key： CZKLEJHVLCMVQR-CDYZYAPPSA-N
- SMILES： Cl[13C](C1C=CC(=CC=1)F)=O
Computed Properties
- Exact Mass: 158.9968254g/mol
- Monoisotopic Mass: 158.9968254g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 130
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.35?g/mL?at 25?°C(lit.)
- Flash Point: 180?°F
- Refractive Index: n20/D 1.5316(lit.)
Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI) Security Information
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： 7/9-26-27-36/37/39
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Hazardous Material Identification：
Benzoyl-carbonyl-13Cchloride, 4-fluoro- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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