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Isophorone diisocyanate, 98%, Thermo Scientific™

$100.71 - $241.67

Chemical Identifiers

CAS 4098-71-9
Molecular Formula C12H18N2O2
Molecular Weight (g/mol) 222.28
MDL Number MFCD00064956
InChI Key NIMLQBUJDJZYEJ-UHFFFAOYSA-N
Synonym 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, ccris 6252, cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl, ipdi, isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester, isophorone diamine diisocyanate, isophorone diisocyanate, isophorone diisocyanate diisocyanates
PubChem CID 169132
ChEBI CHEBI:53214
IUPAC Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SMILES CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
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Products 2
Catalog Number Mfr. No. Quantity Packaging Price Quantity  
Catalog Number Mfr. No. Quantity Packaging Price Quantity  
AC427602500
SDS View Documents Promotion Details
Thermo Fisher Scientific
AC427602500
250mL Glass bottle
Each for $100.71
 
AC427600010
SDS View Documents Promotion Details
Thermo Fisher Scientific
AC427600010
1L Glass bottle
Each for $241.67
 
Description

Description

This Thermo Scientific brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific.

Specifications

Chemical Identifiers

4098-71-9
222.28
NIMLQBUJDJZYEJ-UHFFFAOYSA-N
169132
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
C12H18N2O2
MFCD00064956
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, ccris 6252, cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl, ipdi, isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester, isophorone diamine diisocyanate, isophorone diisocyanate, isophorone diisocyanate diisocyanates
CHEBI:53214
CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

Specifications

4098-71-9
Colorless to Yellow
163°C
Authentic
MFCD00064956
1.4830 to 1.4850 (20°C, 589nm)
250mL
1.061
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
169132
222.28
98%
Isophorone diisocyanate
1.0610g/mL
153.0°C (10.0 mmHg)
97.5% min. (sum of mixed isomers) (GC)
C12H18N2O2
Glass bottle
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, ccris 6252, cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl, ipdi, isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester, isophorone diamine diisocyanate, isophorone diisocyanate, isophorone diisocyanate diisocyanates
NIMLQBUJDJZYEJ-UHFFFAOYSA-N
CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
222.28
CHEBI:53214
Liquid
13-15 mPa.s (23°C)
Safety and Handling

Safety and Handling

GHS H Statement
Causes skin irritation.
May cause an allergic skin reaction.
May cause respiratory irritation.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Toxic to aquatic life with long lasti

GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
IF ON SKIN: Wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
If skin irritation or

GHS Signal Word: Danger

EINECSNumber : 223-861-6

SDS
Product Certifications

RUO – Research Use Only