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Neoprene
CAS: 9010-98-4 | C4H5Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
9010-98-4
Molecular Formula:
C4H5Cl
Molecular Mass:
88.54 g/mol
Names and Synonyms:
Neoprene
1,3-Butadiene, 2-chloro-, homopolymer
1,3-Butadiene, 2-chloro-, polymers
Polychloroprene
Poly(2-chloro-1,3-butadiene)
Poly(2-chlorobutadiene)
Chloroprene polymer
2-Chloro-1,3-butadiene polymer
Plastifix PC
Chlorobutadiene polymer
1,4-cis Poly(chloropene)
trans-1,4-Polychloroprene
Vulkolep RS 3
Politrans 1219
Denkalac M 30
FS 651
Bostik 1410
Chloroprene homopolymer
Hibon 5300
Dispercoll C 200A
LCR-H 050
Convulfix
Telcopren 3.003
Dispercoll C-VPLS 2325
Dispercoll C-VPLS 2372H
Telcopren 3003
Neobond R
Dispercoll C-XP 2694
Neolon 2G
Dispercoll C-VPLS 2372/1
2-Chloro-1,3-butadiene homopolymer
Dispercoll C 2325
Identifiers:
SMILES:
C=CC(=C)Cl
InChI:
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
Key Properties
Melting Point
>260 °C
CAS Common Chemistry
Density
1.23 g/cm³
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 | 88.54 g/mol | CAS Common Chemistry |
| 88.537 g/mol | RDKit | |
| 88.00797784 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Neoprene | CAS Common Chemistry |
| Canonical SMILES | ClC(=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >260 °C | CAS Common Chemistry |
| Name | Polychloroprene | CAS Common Chemistry |
| Neoprene | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9248999999999998 | RDKit |
| Molar Refractivity | 25.189999999999994 | RDKit |
