Cas no 286013-17-0 (Benzaldehyde-formyl-13C,4-chloro- (9CI))
286013-17-0 structure
Product Name:Benzaldehyde-formyl-13C,4-chloro- (9CI)
CAS No:286013-17-0
MF:C7H5ClO
MW:141.55965590477
CID:252334
PubChem ID:16213518
Update Time:2025-04-19
Benzaldehyde-formyl-13C,4-chloro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde-formyl-13C,4-chloro- (9CI)
- 4-Chlorobenzaldehyde
- 4-CHLOROBENZALDEHYDE, [CARBONYL-13C]
- 286013-17-0
- 4-Chlorobenzaldehyde-alpha-13C, 99 atom % 13C
- 4-Chlorobenzaldehyde-alpha-13C
- 4-Chloro(formyl-~13~C)benzaldehyde
- starbld0000303
- DTXSID40584011
-
- Inchi： 1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H/i5+1
- InChI Key： AVPYQKSLYISFPO-HOSYLAQJSA-N
- SMILES： ClC1C=CC([13CH]=O)=CC=1
Computed Properties
- Exact Mass: 141.0062473g/mol
- Monoisotopic Mass: 141.0062473g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 95.1
- 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: 17.1?2
Experimental Properties
- Color/Form: Solids
- Melting Point: 45-50?°C(lit.)
- Boiling Point: 213-214?°C(lit.)
- Solubility: Not determined
Benzaldehyde-formyl-13C,4-chloro- (9CI) Security Information
- Hazardous Material transportation number：UN 1325 4.1/PG 2
- WGK Germany：3
- Hazard Category Code： 22-36/37/38
- Safety Instruction： 26-36/37/39-36
-
Hazardous Material Identification：
- Risk Phrases：R22
Benzaldehyde-formyl-13C,4-chloro- (9CI) Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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