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Methyldibromo Glutaronitrile
CAS: 35691-65-7 | C6H6Br2N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
35691-65-7
Molecular Formula:
C6H6Br2N2
Molecular Mass:
265.94 g/mol
Names and Synonyms:
Methyldibromo Glutaronitrile
Pentanedinitrile, 2-bromo-2-(bromomethyl)-
2-Bromo-2-(bromomethyl)pentanedinitrile
2-Bromo-2-(bromomethyl)glutaronitrile
1,2-Dibromo-2,4-dicyanobutane
Tektamer 38
Tektamer 38AD
BBMG
1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile
Methyldibromoglutaronitrile
Tektamer
MDBGN
Tuopai DM 01
DBDCB
Bromothalonil
Merguard 1105
Cosmoguard
Identifiers:
SMILES:
N#CCCC(Br)(C#N)CBr
InChI:
InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
Key Properties
Melting Point
52 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.94 g/mol | CAS Common Chemistry |
| 265.936 g/mol | RDKit | |
| 263.889772392 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyldibromo_glutaronitrile | CAS Common Chemistry |
| Canonical SMILES | N#CCCC(Br)(C#N)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DHVLDKHFGIVEIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | 1,2-Dibromo-2,4-dicyanobutane | CAS Common Chemistry |
| Methyldibromo glutaronitrile | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 2.34236 | RDKit |
| Molar Refractivity | 45.91200000000001 | RDKit |
