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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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Cyclohexanemethyl isocyanateCas Number: 51163-24-7Formula: C6H11CH2NCO Molecular Weight: 139.19IUPAC Name: isocyanatomethylcyclohexaneSMILES: C1CCC(CC1)CN=C=OInChIKey: DUDXQIXWPJMPRQ-UHFFFAOYSA-NInChI: InChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2Synonyms: cyclohexylmethylisocyanate | BCA16324 | DUDXQIXWPJMPRQ-UHFFFAOYSA-N | Cyclohexanemethyl isocyanate 97 | EN300-272508... -
1-Octyl isocyanateCas Number: 3158-26-7 EC Number: 221-598-1Formula: CH3(CH2)7NCO Molecular Weight: 155.24IUPAC Name: 1-isocyanatooctaneSMILES: CCCCCCCCN=C=OInChIKey: DYQFCTCUULUMTQ-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3Synonyms: A5708 | LS-13693 | n-Octylisocyanate | Isocyanic acid, octyl ester | 1-Isocyanatooctane | 1-isocyanato-octane | J-018...
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1-Adamantyl IsocyanateCas Number: 4411-25-0Formula: C11H15NO Molecular Weight: 177.25IUPAC Name: 1-isocyanatoadamantaneSMILES: C1C2CC3CC1CC(C2)(C3)N=C=OInChIKey: VBHCPGFCIQDXGZ-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2Synonyms: A826490 | 1-Adamantyl isocyanate, 97% | FT-0635277 | W-200374 | F2158-1541 | GEO-00052 | 1-adamantylisocyanate | BP-1...
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(S)-(+)-1-Cyclohexylethyl isocyanateIUPAC Name: [(1S)-1-isocyanatoethyl]cyclohexaneSMILES: CC(C1CCCCC1)N=C=OInChIKey: IGSKYRAPJLTXSO-QMMMGPOBSA-NInChI: InChI=1S/C9H15NO/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m0/s1Synonyms: (S)-(+)-1-CYCLOHEXYLETHYL ISOCYANATE|93470-27-0|[(1S)-1-Isocyanatoethyl]cyclohexane|(S)-(+)-1-Cyclohexylethylisocyana...
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(R)-(-)-2-Heptyl isocyanateCas Number: 745783-75-9Formula: C8H15NO Molecular Weight: 141.21IUPAC Name: (2R)-2-isocyanatoheptaneSMILES: CCCCCC(C)N=C=OInChIKey: PIVVYCUAIZAGPB-MRVPVSSYSA-NInChI: InChI=1S/C8H15NO/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m1/s1Synonyms: (R)-(-)-2-Heptyl isocyanate
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2-Chloroethyl isocyanateCas Number: 1943-83-5 EC Number: 217-734-4Formula: C3H4ClNO Molecular Weight: 105.52IUPAC Name: 1-chloro-2-isocyanatoethaneSMILES: C(CCl)N=C=OInChIKey: BCMYXYHEMGPZJN-UHFFFAOYSA-NInChI: InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2Synonyms: 2-chloroethyl isocyanate, low hcl, 97% | 2-Chlorethylisokyanat | A4278 | beta-chloroethyl isocyanate | Z-1016 | chlor...
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1,3-Bis(isocyanatomethyl)cyclohexane (cis- and trans- mixture)Cas Number: 38661-72-2Formula: C10H14N2O2 Molecular Weight: 194.23IUPAC Name: 1,3-bis(isocyanatomethyl)cyclohexaneSMILES: C1CC(CC(C1)CN=C=O)CN=C=OInChIKey: XSCLFFBWRKTMTE-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2
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3-Chloropropyl isocyanateCas Number: 13010-19-0Formula: C4H6ClNO Molecular Weight: 119.55IUPAC Name: 1-chloro-3-isocyanatopropaneSMILES: C(CN=C=O)CClInChIKey: RQAVSDINDRNIKL-UHFFFAOYSA-NInChI: InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2Synonyms: 1-Chloro-3-isocyanatopropane | 1-chloro-3-isocyanato-propane | J-640334 | 3-Chloropropylisocyanate | 3-chloropropyl-i...
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Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)Cas Number: 28679-16-5 Compound CID: 3033881Formula: C11H18N2O2 Molecular Weight: 210.27IUPAC Name: 1,6-diisocyanato-5,6-dimethylheptaneSMILES: CC(CCCCN=C=O)C(C)(C)N=C=OInChIKey: VZXPHDGHQXLXJC-UHFFFAOYSA-NInChI: InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3Synonyms: TMDI | FT-0696852 | SCHEMBL54554 | Trimethylhexamethylene diisocyanate [UN2328] [Poison] | trimethyl-1,6-diisocyanat...
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Isophorone Diisocyanate (mixture of isomers)(IPDI)Cas Number: 4098-71-9 EC Number: 223-861-6Formula: C12H18N2O2 Molecular Weight: 222.28IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexaneSMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)CInChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-NInChI: InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3Synonyms: IPDI | 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane | Isophorone diamine diisocyanate | Cyclohexane, ...
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Cyclopropyl isocyanateCas Number: 4747-72-2Formula: C4H5NO Molecular Weight: 83.1IUPAC Name: isocyanatocyclopropaneSMILES: C1CC1N=C=OInChIKey: DBBRJAWSDTYYBM-UHFFFAOYSA-NInChI: InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2Synonyms: cyclopropane, isocyanato- | DTXSID40348478 | MFCD02093694 | SY008162 | CYCLOPROPYL,ISOCYANATE | Z316172632 | AB10805 ...
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Hexyl IsocyanateCas Number: 2525-62-4 EC Number: 219-763-8Formula: C7H13NO Molecular Weight: 127.19IUPAC Name: 1-isocyanatohexaneSMILES: CCCCCCN=C=OInChIKey: ANJPRQPHZGHVQB-UHFFFAOYSA-NInChI: InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3Synonyms: EINECS 219-763-8 | Isocyanic Acid Hexyl Ester | AKOS009158659 | J-800358 | Hexyl isocyanate, 97% | 1-Propanaminium, 2...
