Cas no 287399-45-5 (Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI))
287399-45-5 structure
Product Name:Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI)
CAS No:287399-45-5
MF:C7H6ClF
MW:145.566599369049
CID:248733
PubChem ID:16213379
Update Time:2025-04-19
Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI)
- 2-chloro-4-fluoro-1-methylbenzene
- 2-CHLORO-4-FLUOROTOLUENE, [ALPHA-13C]
- DTXSID00583909
- 2-Chloro-4-fluorotoluene-alpha-13C
- 2-chloro-4-fluoro-1-(113C)methylbenzene
- 2-Chloro-4-fluoro-1-(~13~C)methylbenzene
- 287399-45-5
- 2-Chloro-4-fluorotoluene-alpha-13C, 99 atom % 13C
- SCHEMBL1330269
-
- Inchi： 1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3/i1+1
- InChI Key： CSARJIQZOSVYHA-OUBTZVSYSA-N
- SMILES： ClC1C=C(C=CC=1[13CH3])F
Computed Properties
- Exact Mass: 145.0175609g/mol
- Monoisotopic Mass: 145.0175609g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 94.9
- 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: 0?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Density: 1.205?g/mL?at 25?°C
- Boiling Point: 154-156?°C(lit.)
- Flash Point: 122?°F
- Refractive Index: n20/D 1.499(lit.)
- Solubility: Not determined
Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI) Security Information
- Hazardous Material transportation number：UN 1993 3/PG 3
- WGK Germany：3
- Hazard Category Code： 10-36/37/38
- Safety Instruction： 16-26-36/37/39
-
Hazardous Material Identification：
- Risk Phrases：10-36/37/38
Benzene,2-chloro-4-fluoro-1-(methyl-13C)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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