Cas no 41380-66-9 (Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI))
41380-66-9 structure
Product Name:Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI)
CAS No:41380-66-9
MF:C10H13Cl
MW:168.663222074509
CID:329628
PubChem ID:170499
Update Time:2025-04-19
Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI)
- chloromethylpseudocumene
- 41380-66-9
- HGFIBEDXILACRG-UHFFFAOYSA-N
- DTXSID10961653
- starbld0002541
- 1,2,4-Trimethyl-3-(chloromethyl)benzene
- Monochloromethyl pseudocumene
- 2-(chloromethyl)-1,3,4-trimethylbenzene
- Benzene, (chloromethyl)-1,2,4-trimethyl-
- AKOS006382801
- SCHEMBL21865896
-
- Inchi: 1S/C10H13Cl/c1-7-4-5-8(2)10(6-11)9(7)3/h4-5H,6H2,1-3H3
- InChI Key: HGFIBEDXILACRG-UHFFFAOYSA-N
- SMILES: ClCC1C(C)=CC=C(C)C=1C
Computed Properties
- Exact Mass: 168.070578
- Monoisotopic Mass: 168.070578
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 4
- Topological Polar Surface Area: 0
Experimental Properties
- Density: 1.016
- Boiling Point: 248°C at 760 mmHg
- Flash Point: 101.5°C
- Refractive Index: 1.52
Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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