Cas no 27836-94-8 (Benzoic acid, triiodo-)
Benzoic acid, triiodo- structure
Product Name:Benzoic acid, triiodo-
CAS No:27836-94-8
MF:C7H3I3O2
MW:499.810939073563
CID:255616
PubChem ID:3015392
Update Time:2025-04-19
Benzoic acid, triiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, triiodo-
- 2,3,4-triiodobenzoic acid
- benzoic acid, 2,3,4-triiodo-
- Triiodobenzoic acid (VAN)
- SCHEMBL625273
- DTXSID60950512
- 27836-94-8
- AKOS002685580
-
- Inchi： 1S/C7H3I3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)
- InChI Key： CUDQZSUUZBNXGX-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=CC=1C(=O)O)I)I
Computed Properties
- Exact Mass: 499.72529
- Monoisotopic Mass: 499.727
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 2.971g/cm3
- Boiling Point: 427oC at 760 mmHg
- Flash Point: 212.1oC
- Refractive Index: 1.8
- PSA: 37.3
- LogP: 3.19860
Benzoic acid, triiodo- Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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