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Isocyanates
Description:
Organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
Ancestors:
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Heptyl IsocyanateCas Number: 4747-81-3Formula: C8H15NO Molecular Weight: 141.21IUPAC Name: 1-isocyanatoheptaneSMILES: CCCCCCCN=C=OInChIKey: RFXBSYPBSRSQDU-UHFFFAOYSA-NInChI: InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3Synonyms: n-Heptyl isocyanate | 1-ISOCYANATOHEPTAN-2-YL | Heptane, 1-isocyanato- | n-Heptyl isocyanate;Heptyl isocyanate | SCHE... -
Ethyl 3-isocyanatopropionateCas Number: 5100-34-5Formula: OCNCH2CH2CO2C2H5 Molecular Weight: 143.14IUPAC Name: ethyl 3-isocyanatopropanoateSMILES: CCOC(=O)CCN=C=OInChIKey: XBSGYVHOINMTIM-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3Synonyms: ethyl N-(oxomethylidene)-beta-alaninate | FT-0626031 | BBL037671 | STK502573 | DTXSID50369871 | A828389 | 3-ISOCYANAT... -
Trichloroacetyl IsocyanateCas Number: 3019-71-4 Compound CID: 76400Formula: C3Cl3NO2 Molecular Weight: 188.39IUPAC Name: 2,2,2-trichloroacetyl isocyanateSMILES: C(=NC(=O)C(Cl)(Cl)Cl)=OInChIKey: GRNOZCCBOFGDCL-UHFFFAOYSA-NInChI: InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8Synonyms: AKOS000160595 | EN300-50197 | ISOCYANIC ACID, ANHYDRIDE WITH TRICHLOROACETIC ACID | .ALPHA.,.ALPHA.,.ALPHA.-TRICHLORO...
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Chloroacetyl isocyanateCas Number: 4461-30-7Formula: C3H2ClNO2 Molecular Weight: 119.51IUPAC Name: 2-chloroacetyl isocyanateSMILES: C(C(=O)N=C=O)ClInChIKey: MOVMEFHWBOWMFU-UHFFFAOYSA-NInChI: InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2Synonyms: Chloroacetyl isocyante | alpha-chloroacetyl isocyanate | UNII-H5WF2AMH7J | Acetyl isocyanate, chloro- | Q27279679 | C...
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Allyl isocyanateCas Number: 1476-23-9Formula: C4H5NO Molecular Weight: 83.09IUPAC Name: 3-isocyanatoprop-1-eneSMILES: C=CCN=C=OInChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-NInChI: InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2Synonyms: EN300-148061 | NSC 96964 | 1-Propene, 3-isocyanato- | WLN: OCN2U1 | STK503764 | AKOS005141683 | ?ALLYL ISOCYANATE | B...
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Octadecyl isocyanateCas Number: 112-96-9 EC Number: 204-019-7Formula: CH3(CH2)17NCO Molecular Weight: 295.5IUPAC Name: 1-isocyanatooctadecaneSMILES: CCCCCCCCCCCCCCCCCCN=C=OInChIKey: QWDQYHPOSSHSAW-UHFFFAOYSA-NInChI: InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3Synonyms: NSC 66466 | Stearyl isocyanate | NSC66466 | NSC-66466 | Octadecylisocyanate | I0130 | Isocyanic Acid Stearyl Ester | ...
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Hexamethylene diisocyanateCas Number: 822-06-0 EC Number: 212-485-8Formula: C8H12N2O2 Molecular Weight: 168.19IUPAC Name: 1,6-diisocyanatohexaneSMILES: C(CCCN=C=O)CCN=C=OInChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2Synonyms: CCRIS 8431 | NCGC00164175-01 | EC 212-485-8 | S 90 | Tox21_202206 | 1,6-hexane diisocyanate | BRN 0956709 | Hexamethy...
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Cyclopentyl IsocyanateCas Number: 4747-71-1Formula: C6H9NO Molecular Weight: 111.14IUPAC Name: isocyanatocyclopentaneSMILES: C1CCC(C1)N=C=OInChIKey: CZALJDQHONFVFU-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2Synonyms: BB 0259968 | isocyanato cyclopentane | SCHEMBL6196 | Cyclopentylisocyanate | AKOS000185060 | CZALJDQHONFVFU-UHFFFAOYS...
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Octadecyl isocyanateCas Number: 112-96-9 EC Number: 204-019-7Formula: CH3(CH2)17NCO Molecular Weight: 295.5IUPAC Name: 1-isocyanatooctadecaneSMILES: CCCCCCCCCCCCCCCCCCN=C=OInChIKey: QWDQYHPOSSHSAW-UHFFFAOYSA-NInChI: InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3Synonyms: NSC 66466 | Stearyl isocyanate | NSC66466 | NSC-66466 | Octadecylisocyanate | I0130 | Isocyanic Acid Stearyl Ester | ...
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Pentyl isocyanateCas Number: 3954-13-0 Compound CID: 206036Formula: C6H11NO Molecular Weight: 113.16IUPAC Name: 1-isocyanatopentaneSMILES: CCCCCN=C=OInChIKey: VRVUKQWNRPNACD-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2-5H2,1H3Synonyms: pentylisocyanate | n-Pentyl isocyanate | 1-Pentyl isocyanate | A824610 | FT-0627397 | Amylisocyanat | Pentyl isocyana...
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Dicyclohexylmethane 4,4'-Diisocyanate (mixture of isomers)(HMDI)Cas Number: 5124-30-1Formula: C15H22N2O2 Molecular Weight: 262.35IUPAC Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexaneSMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=OInChIKey: KORSJDCBLAPZEQ-UHFFFAOYSA-NInChI: InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2Synonyms: HMDI | AKOS000120188 | Cyclohexane, 1,1'-methylenebis[4-isocyanato-, (trans,trans)- | D2380 | SCHEMBL8733246 | TRANS-...
