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Neoprene
CAS: 9010-98-4 | C4H5Cl
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
9010-98-4
Molecular Formula:
C4H5Cl
Molecular Weight:
88.537 g/mol
Names and Synonyms:
Neoprene
Common Name
Dispercoll C 2325
Synonym
2-Chloro-1,3-butadiene homopolymer
Synonym
Dispercoll C-VPLS 2372/1
Synonym
Neolon 2G
Synonym
Dispercoll C-XP 2694
Synonym
Neobond R
Synonym
Telcopren 3003
Synonym
Dispercoll C-VPLS 2372H
Synonym
Dispercoll C-VPLS 2325
Synonym
Telcopren 3.003
Synonym
Convulfix
Synonym
LCR-H 050
Synonym
Dispercoll C 200A
Synonym
Hibon 5300
Synonym
Chloroprene homopolymer
Synonym
Bostik 1410
Synonym
FS 651
Synonym
Denkalac M 30
Synonym
Politrans 1219
Synonym
Vulkolep RS 3
Synonym
trans-1,4-Polychloroprene
Synonym
1,4-cis Poly(chloropene)
Synonym
Chlorobutadiene polymer
Synonym
Plastifix PC
Synonym
2-Chloro-1,3-butadiene polymer
Synonym
Chloroprene polymer
Synonym
Poly(2-chlorobutadiene)
Synonym
Poly(2-chloro-1,3-butadiene)
Synonym
Polychloroprene
Synonym
1,3-Butadiene, 2-chloro-, polymers
Synonym
1,3-Butadiene, 2-chloro-, homopolymer
Synonym
Identifiers:
SMILES:
C=CC(=C)Cl
InChI:
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 88.54 g/mol | Legacy Database |
| density | 1.23 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Neoprene None | Legacy Database |
| cas-canonical-smile | ClC(=C)C=C None | Legacy Database |
| cas-density | 1.23 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >260 °C None | Legacy Database |
| cas-name | Polychloroprene None | Legacy Database |
| wikipedia-name | Neoprene None | Legacy Database |
| LogP | 1.9248999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.537 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.00797784 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.189999999999994 | RDKit |