Cas no 100466-27-1 (Benzoic acid,4-(bromomethyl)-2-nitro-)
100466-27-1 structure
Product Name:Benzoic acid,4-(bromomethyl)-2-nitro-
CAS No:100466-27-1
MF:C8H6BrNO4
MW:260.041541576386
CID:124110
PubChem ID:21947876
Update Time:2025-04-18
Benzoic acid,4-(bromomethyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(bromomethyl)-2-nitro-
- 4-(bromomethyl)-2-nitrobenzoic acid
- 4-CARBOXY-3-NITROBENZYLBROMIDE
- DTXSID50620590
- 100466-27-1
- 4-carboxy-3-nitrobenzyl bromide
- SCHEMBL2276162
-
- Inchi： 1S/C8H6BrNO4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3H,4H2,(H,11,12)
- InChI Key： WXFDVFNOBCZEQQ-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 258.94800
- Monoisotopic Mass: 258.94802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 240
- 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
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 83.12000
- LogP: 2.71110
Benzoic acid,4-(bromomethyl)-2-nitro- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
100466-27-1 (Benzoic acid,4-(bromomethyl)-2-nitro-) Related Products
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