Cas no 7305-02-4 ( )
structure
Product Name:
CAS No:7305-02-4
MF:C9H10ClNO2
MW:199.634201526642
CID:977756
PubChem ID:225325
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- BUTYRAMIDE, N,N-DIMETHYL-; butanoic acid dimethylamide; N.N-Dimethyl-carbamidsaeure-< 3-chlorphenylester> ; 3-chlorophenyl dimethylcarbamate; SBB008345; N,N-Dimethyl-butyramid; 3-Chlorphenyl-N,N-dimethylcarbamat; N,N-dimethyl-butyramide; AG-H-03420; N,N-dimethyl-carbamic acid 3-chloro-phenyl ester; Butanamide, N,N-dimethyl-; N,N-Dimethyl-n-butyramide; N,N-Dimethylbutyramide; m-Chlorphenyldimethylcarbamat; N,N-dimethylbutyramide; B
- CHEMBL2288662
- NSC14545
- 3-chlorophenyl dimethylcarbamate
- DTXSID10993818
- NSC-14545
- 7305-02-4
-
-
- Inchi： 1S/C9H10ClNO2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,1-2H3
- InChI Key： BLJYGSCKXITQSL-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)OC(N(C)C)=O
Computed Properties
- Exact Mass: 199.0401
- Monoisotopic Mass: 199.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 185
- 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: 2.3
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.226
- Boiling Point: 272.4°C at 760 mmHg
- Flash Point: 118.5°C
- Refractive Index: 1.537
- PSA: 29.54
- LogP: 2.40040
Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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