各種合成橡膠的化學資料
皮膚科 王修含 醫師 整理
資料來源:美國NCBI PubChem資料庫
http://pubchem.ncbi.nlm.nih.gov/
1. 丁腈膠 Nitrile Rubber NBR
2. 乙丙膠 Ethylene propylene Rubber EPDM
3. 矽橡膠 Silicone Rubber SI
4. 丁苯膠 Styrene butadiene Rubber SBR
5. 氯丁膠 Polychloroprene Rubber CR
6. 丁基橡膠 Butyl Rubber
7. 聚氨酯膠 Polyurethane Rubber PU
各種合成橡膠的化學資料
1. 丁腈膠 Nitrile Rubber NBR
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7855&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 73)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: prop-2-enenitrile
Canonical SMILES: C=CC#N
InChI: InChI=1/C3H3N/c1-2-3-4/h2H,1H2
2. 乙丙膠 Ethylene propylene Rubber EPDM
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6557&loc=ec_rcs
Drug and Chemical Information: (Total:1)
Depositor-Supplied Synonyms: (Total: 62)
Properties Computed from Structure:
Descriptors Computed from Structure:
3. 矽橡膠 Silicone Rubber SI
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24771&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 214)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: dimethyl-oxosilane
Canonical SMILES: C[Si](=O)C
InChI: InChI=1/C2H6OSi/c1-4(2)3/h1-2H3
4. 丁苯膠 Styrene butadiene Rubber SBR
有兩種資料:
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62697&loc=ec_rcs
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6850752&loc=ec_rcs
第一種:http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62697&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 135)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: buta-1,3-diene; ethenylbenzene
Canonical SMILES: C=CC=C.C=CC1=CC=CC=C1
InChI: InChI=1/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2
第二種:http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6850752&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 97)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: [(E)-oct-5-en-3-yl]benzene
Canonical SMILES: CCC=CCC(CC)C1=CC=CC=C1
Isomeric SMILES: CC\C=C\CC(CC)C1=CC=CC=C1
InChI: InChI=1/C14H20/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h5-9,11-13H,3-4,
10H2,1-2H3/b7-5+
5. 氯丁膠 Polychloroprene Rubber CR
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31369&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 48)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: 2-chlorobuta-1,3-diene
Canonical SMILES: C=CC(=C)Cl
InChI: InChI=1/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
6. 丁基橡膠 Butyl Rubber
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62703&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 18)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: 2-methylbuta-1,3-diene; 2-methylprop-1-ene
Canonical SMILES: CC(=C)C.CC(=C)C=C
InChI: InChI=1/C5H8.C4H8/c1-4-5(2)3;1-4(2)3/h4H,1-2H2,3H3;1H2,2-3H3
7. 聚氨酯膠 Polyurethane Rubber PU
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=114729&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 33)
Properties Computed from Structure:
Descriptors Computed from Structure:
IUPAC Name: butane-1,4-diol; ethane-1,2-diol; hexanedioic acid;
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O
InChI: InChI=1/C15H10N2O2.C6H10O4.C4H10O2.C2H6O2/c18-10-16-14-5-1-12(2-6-14)9-
13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6;3-1-2-4/h1-
8H,9H2;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2;3-4H,1-2H2/f/h;7,9H;;
皮膚科 王修含 醫師 整理
資料來源:美國NCBI PubChem資料庫
http://pubchem.ncbi.nlm.nih.gov/
1. 丁腈膠 Nitrile Rubber NBR
2. 乙丙膠 Ethylene propylene Rubber EPDM
3. 矽橡膠 Silicone Rubber SI
4. 丁苯膠 Styrene butadiene Rubber SBR
5. 氯丁膠 Polychloroprene Rubber CR
6. 丁基橡膠 Butyl Rubber
7. 聚氨酯膠 Polyurethane Rubber PU
各種合成橡膠的化學資料
1. 丁腈膠 Nitrile Rubber NBR
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7855&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 73)
ACRYLONITRILE
2-Propenenitrile
Vinyl cyanide
Propenenitrile
Cyanoethylene
Carbacryl
Fumigrain
Acritet
Acrylon
Ventox
2-Propenenitrile
Vinyl cyanide
Propenenitrile
Cyanoethylene
Carbacryl
Fumigrain
Acritet
Acrylon
Ventox
Properties Computed from Structure:
Molecular Weight | 53.06262 [g/mol] |
Molecular Formula | C3H3N |
XLogP | 0.3 |
H-Bond Donor | 0 |
H-Bond Acceptor | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 53.026549 |
MonoIsotopic Mass | 53.026549 |
Topological Polar Surface Area | 23.8 |
Heavy Atom Count | 4 |
Formal Charge | 0 |
Complexity | 54.9 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: prop-2-enenitrile
Canonical SMILES: C=CC#N
InChI: InChI=1/C3H3N/c1-2-3-4/h2H,1H2
2. 乙丙膠 Ethylene propylene Rubber EPDM
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6557&loc=ec_rcs
Drug and Chemical Information: (Total:1)
Depositor-Supplied Synonyms: (Total: 62)
|
ISOPRENE
Isopentadiene
beta-Methylbivinyl
2-Methylbutadiene
2-Methyl-1,3-butadiene
2-Methyldivinyl
1,3-Butadiene, 2-methyl-
Polyisoprene, cis
1,4-Polyisoprene
Polyisoprene, trans
Isopentadiene
beta-Methylbivinyl
2-Methylbutadiene
2-Methyl-1,3-butadiene
2-Methyldivinyl
1,3-Butadiene, 2-methyl-
Polyisoprene, cis
1,4-Polyisoprene
Polyisoprene, trans
Properties Computed from Structure:
Molecular Weight | 68.11702 [g/mol] |
Molecular Formula | C5H8 |
XLogP | 2.3 |
H-Bond Donor | 0 |
H-Bond Acceptor | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 68.0626 |
MonoIsotopic Mass | 68.0626 |
Topological Polar Surface Area | 0 |
Heavy Atom Count | 5 |
Formal Charge | 0 |
Complexity | 51.1 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 2-methylbuta-1,3-diene
Canonical SMILES: CC(=C)C=C
InChI: InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
Canonical SMILES: CC(=C)C=C
InChI: InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
3. 矽橡膠 Silicone Rubber SI
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24771&loc=ec_rcs
Display: Next 10 | All | Sort: Weight Alphabetic |
Properties Computed from Structure:
Molecular Weight | 74.15394 [g/mol] |
Molecular Formula | C2H6OSi |
H-Bond Donor | 0 |
H-Bond Acceptor | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 74.018791 |
MonoIsotopic Mass | 74.018791 |
Topological Polar Surface Area | 17.1 |
Heavy Atom Count | 4 |
Formal Charge | 0 |
Complexity | 29 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: dimethyl-oxosilane
Canonical SMILES: C[Si](=O)C
InChI: InChI=1/C2H6OSi/c1-4(2)3/h1-2H3
4. 丁苯膠 Styrene butadiene Rubber SBR
有兩種資料:
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62697&loc=ec_rcs
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6850752&loc=ec_rcs
第一種:http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62697&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 135)
Plioflex
Duranit
Andrez
SBS copolymer
Vestyron HI
Dienol S
Pliolite S5
Litex CA
Histyrene S 6F
Pliolite 55B
Duranit
Andrez
SBS copolymer
Vestyron HI
Dienol S
Pliolite S5
Litex CA
Histyrene S 6F
Pliolite 55B
Properties Computed from Structure:
Molecular Weight | 158.23956 [g/mol] |
Molecular Formula | C12H14 |
H-Bond Donor | 0 |
H-Bond Acceptor | 0 |
Rotatable Bond Count | 2 |
Exact Mass | 158.10955 |
MonoIsotopic Mass | 158.10955 |
Topological Polar Surface Area | 0 |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 89.1 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Descriptors Computed from Structure:
IUPAC Name: buta-1,3-diene; ethenylbenzene
Canonical SMILES: C=CC=C.C=CC1=CC=CC=C1
InChI: InChI=1/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2
第二種:http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6850752&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 97)
Plioflex
Duranit
Andrez
SBS copolymer
Vestyron HI
Dienol S
Pliolite S5
Litex CA
Histyrene S 6F
Pliolite 55B
Duranit
Andrez
SBS copolymer
Vestyron HI
Dienol S
Pliolite S5
Litex CA
Histyrene S 6F
Pliolite 55B
Properties Computed from Structure:
Molecular Weight | 188.3086 [g/mol] |
Molecular Formula | C14H20 |
XLogP | 5.8 |
H-Bond Donor | 0 |
H-Bond Acceptor | 0 |
Rotatable Bond Count | 5 |
Exact Mass | 188.156501 |
MonoIsotopic Mass | 188.156501 |
Topological Polar Surface Area | 0 |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 151 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 1 |
Defined Bond StereoCenter Count | 1 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: [(E)-oct-5-en-3-yl]benzene
Canonical SMILES: CCC=CCC(CC)C1=CC=CC=C1
Isomeric SMILES: CC\C=C\CC(CC)C1=CC=CC=C1
InChI: InChI=1/C14H20/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h5-9,11-13H,3-4,
10H2,1-2H3/b7-5+
5. 氯丁膠 Polychloroprene Rubber CR
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31369&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 48)
CHLOROPRENE
Chlorobutadiene
Neoprene
2-Chlorobutadiene
beta-Chloroprene
Chloropreen
Chloropren
Cloroprene
2-Chloroprene
alpha-Chloroprene
Chlorobutadiene
Neoprene
2-Chlorobutadiene
beta-Chloroprene
Chloropreen
Chloropren
Cloroprene
2-Chloroprene
alpha-Chloroprene
Properties Computed from Structure:
Molecular Weight | 88.5355 [g/mol] |
Molecular Formula | C4H5Cl |
XLogP | 1.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 88.007978 |
MonoIsotopic Mass | 88.007978 |
Topological Polar Surface Area | 0 |
Heavy Atom Count | 5 |
Formal Charge | 0 |
Complexity | 54.7 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 2-chlorobuta-1,3-diene
Canonical SMILES: C=CC(=C)Cl
InChI: InChI=1/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
6. 丁基橡膠 Butyl Rubber
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=62703&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 18)
Butyl rubber
Butyl rubber, brominated
Isobutylene/isoprene copolymer
Poly(isobutylene-co-isoprene)
isobutylene-isoprene copolymer
LS-2851
Chlorinated isobutylene, isoprene polymer
Isobutylene, isoprene polymer, brominated
Isobutylene-isoprene copolymer, chlorinated
2-Methyl-1,3-butadiene polymer with 2-methyl-1-propene
Butyl rubber, brominated
Isobutylene/isoprene copolymer
Poly(isobutylene-co-isoprene)
isobutylene-isoprene copolymer
LS-2851
Chlorinated isobutylene, isoprene polymer
Isobutylene, isoprene polymer, brominated
Isobutylene-isoprene copolymer, chlorinated
2-Methyl-1,3-butadiene polymer with 2-methyl-1-propene
Properties Computed from Structure:
Molecular Weight | 124.22334 [g/mol] |
Molecular Formula | C9H16 |
H-Bond Donor | 0 |
H-Bond Acceptor | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 124.125201 |
MonoIsotopic Mass | 124.125201 |
Topological Polar Surface Area | 0 |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 74.1 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Descriptors Computed from Structure:
IUPAC Name: 2-methylbuta-1,3-diene; 2-methylprop-1-ene
Canonical SMILES: CC(=C)C.CC(=C)C=C
InChI: InChI=1/C5H8.C4H8/c1-4-5(2)3;1-4(2)3/h4H,1-2H2,3H3;1H2,2-3H3
7. 聚氨酯膠 Polyurethane Rubber PU
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=114729&loc=ec_rcs
Depositor-Supplied Synonyms: (Total: 33)
Properties Computed from Structure:
Molecular Weight | 548.58214 [g/mol] |
Molecular Formula | C27H36N2O10 |
H-Bond Donor | 6 |
H-Bond Acceptor | 12 |
Rotatable Bond Count | 13 |
Exact Mass | 548.236995 |
MonoIsotopic Mass | 548.236995 |
Topological Polar Surface Area | 214 |
Heavy Atom Count | 39 |
Formal Charge | 0 |
Complexity | 469 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 4 |
Descriptors Computed from Structure:
IUPAC Name: butane-1,4-diol; ethane-1,2-diol; hexanedioic acid;
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O
InChI: InChI=1/C15H10N2O2.C6H10O4.C4H10O2.C2H6O2/c18-10-16-14-5-1-12(2-6-14)9-
13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6;3-1-2-4/h1-
8H,9H2;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2;3-4H,1-2H2/f/h;7,9H;;
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