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HCID 53172Erstellt: 26. Oktober 2026

1,3-Bis(isocyanatomethyl)cyclohexane

1,3-bis(isocyanatomethyl)-cyclohexan · 1,3-Bis(isocyanatomethyl)cyclohexane · CYCLOHEXANE,1,3-BIS(ISOCYANATOMETHYL)- · ? 1,3-bis(isocyanate-methyl)cyclohexane, · 1,3-Bis(isocyanatoMethyl)cyclohexane H6XDI/ 1,3-Bis(isocyanatomethyl)cyclohexane · 1,3-Cyclohexanediylbis(methylene)diisocyanate · (1,3-Cyclohexanediylbismethylene)bisisocyanate · 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANEPRE-POLYMER

https://huagongshe.com/de/chemical/53172

Molekülstruktur von 1,3-Bis(isocyanatomethyl)cyclohexane

Identifikatoren & physikalische Daten

CAS No.38661-72-2
SummenformelC10H14N2O2
Durchschnittliche Molmasse194,23 g/mol
Monoisotopische Masse194,10552769 g/mol
SMILESO=C=NCC1CCCC(CN=C=O)C1
InChIKeyXSCLFFBWRKTMTE-UHFFFAOYSA-N
PubChem CID53172
ChEMBLCHEMBL3184736
EC No.609-567-4
DTXSIDDTXSID6044933

Chemische & physikalische Eigenschaften

XLogP3,7
Polarare Oberfläche (TPSA)58,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen4
Schwere Atome14
Formalladung0
Komplexität239
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Siedepunkt294.4±13.0 °C(Predicted)
Dichte1.101 g/mL at 25 °C (lit.)
Dampfdruck0.4 mm Hg ( 98 °C)
Brechungsindexn20/D 1.485(lit.)
Flammpunkt>230 °F
Lagerbedingungen0-10°C
Aggregatzustandclear liquid
FarbeColorless to Almost colorless
InChI1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2
InChIKeyXSCLFFBWRKTMTE-UHFFFAOYSA-N
SMILESO=C=NCC1CCCC(CN=C=O)C1
LogP (Verteilungskoeffizient)3.92 at 25℃ and pH7
EPA chemische Informationen1,3-Bis(methylisocyanate)cyclohexane (38661-72-2)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Cyclohexane, 1,3-bis(isocyanatomethyl)-Status: Active Update: 13-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27064
DOT-KennzeichnungPoison
BrandgefahrenExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
GesundheitsgefahrenExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reaktive GruppeIsocyanates and Isothiocyanates
Reactivity ProfileIsocyanates and thioisocyanates, such as 1,3-BIS(METHYLISOCYANATE)CYCLOHEXANE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer(1969)].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
BrandbekämpfungExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Erste HilfeExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Freisetung ohne BrandExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2206 6.1/PG 3
Zollcode29291090
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)23-26-36/37/39-45
Gefahrenklasse6.1(b)Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Chronic 4Eye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1A
VerpackungsgruppeIII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials