Cas no 21323-99-9 (3-iodo-4-methyl-5-nitromethyl benzoate)
21323-99-9 structure
Product Name:3-iodo-4-methyl-5-nitromethyl benzoate
CAS No:21323-99-9
MF:C9H8INO4
MW:321.068594932556
CID:911628
PubChem ID:24728110
Update Time:2025-04-19
3-iodo-4-methyl-5-nitromethyl benzoate Chemical and Physical Properties
Names and Identifiers
-
- 3-iodo-4-methyl-5-nitromethyl benzoate
- methyl 3-iodo-4-methyl-5-nitrobenzoate
- 3-iodo-4-methyl-5-nitro-benzoic acid methyl ester
- 5-Iod-3-nitro-p-tolylsaeure-methylester
- SCHEMBL2720263
- NSIQIHFMBPIMJT-UHFFFAOYSA-N
- AKOS017559517
- DTXSID10646175
- 21323-99-9
-
- Inchi： 1S/C9H8INO4/c1-5-7(10)3-6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3
- InChI Key： NSIQIHFMBPIMJT-UHFFFAOYSA-N
- SMILES： IC1=CC(C(=O)OC)=CC(=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 320.95000
- Monoisotopic Mass: 320.95
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 72.1A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 72.12000
- LogP: 2.81760
3-iodo-4-methyl-5-nitromethyl benzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-iodo-4-methyl-5-nitromethyl benzoate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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