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4-Bromobenzaldehyde tosylhydrazone
1. Names and Identifiers
- 1.1 Name
- 4-Bromobenzaldehyde tosylhydrazone
- 1.2 Synonyms
- 4-Bromobenzaldehyde tosylhydrazone; N'-(4-bromobenzylidene)-4-methylbenzenesulfonohydrazide;
- 1.3 CAS No.
- 19350-68-6
- 1.4 CID
- 5051361
- 1.5 Molecular Formula
- C14H13BrN2O2S
- 1.6 Inchi
- InChI=1S/C14H13BrN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3
- 1.7 InChkey
- BPJBUIWCUYKVNL-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)Br
- 1.9 Isomers Smiles
- CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)Br
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：353.2342g/mol
- Molecular Formula：C14H13BrN2O2S
- Compound Is Canonicalized：True
- Exact Mass：3.6
- XLogP3-AA：351.98811
- Monoisotopic Mass：351.98811
- Complexity：417
- Rotatable Bond Count：4
- Hydrogen Bond Donor Count：1
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：66.9
- Heavy Atom Count：：20
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：1
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBzMABAEAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHARYQAABrADBWAQyAYACAAKgAjBjAHBCABAgAAQIiBggALgIIKKAERCAIAAggAAIihcAgAAOEgAAAAAAAAAkAAAAAAAAAAAAAAAAAA==
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Update Time:2019/02/25
5. Realated Product Infomation
EN
