Cas no 110047-12-6 (Carbamic acid,2,3-xylyl ester (6CI))
110047-12-6 structure
Product Name:Carbamic acid,2,3-xylyl ester (6CI)
CAS No:110047-12-6
MF:C9H11NO2
MW:165.189142465591
CID:167912
PubChem ID:60396
Update Time:2025-04-19
Carbamic acid,2,3-xylyl ester (6CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,2,3-xylyl ester (6CI)
- (2,3-dimethylphenyl) carbamate
- 2,3-Dimethylphenyl carbamate
- 2,3-Dimethylphenylcarbamat
- 2,3-Xylyl ester of carbamic acid
- AC1L1T6B
- AC1Q61GS
- ACMC-20mcuo
- BRN 1947501
- CARBAMIC ACID, 2,3-XYLYL ESTER
- SureCN473084
- dimethylphenyl carbamate
- SCHEMBL473084
- 110047-12-6
- DTXSID20149127
-
- Inchi： 1S/C9H11NO2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,10,11)
- InChI Key： BRCWUAZOJNULLQ-UHFFFAOYSA-N
- SMILES： O(C(N)=O)C1=CC=CC(C)=C1C
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.078979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 1.7
- Topological Polar Surface Area: 52.3
Experimental Properties
- Density: 1.125
- Boiling Point: 320.1°Cat760mmHg
- Flash Point: 170.3°C
- Refractive Index: 1.541
- PSA: 52.32
- LogP: 2.27470
Carbamic acid,2,3-xylyl ester (6CI) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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