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Isopropyl isocyanate 98%

CAT: 0286-I10290-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-I10290-01Size:1 g
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CAS Number
1795-48-8
UN Code
UN2483
Pictogram
02 - Flammable; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00002037
Hazard Statement
H225 Highly flammable liquid and vapor; H300 Fatal if swallowed; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H335 May cause respiratory irritation.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Isopropyl Isocyanate
DOT Classification
Class 6.1, 3
Packaging Group
PGI
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; P284 Wear respiratory protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Isopropyl isocyanate

Isopropyl isocyanate appears as a colorless liquid with a pungent odor. Insoluble in water. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.

CAS Number1795-48-8
PubChem CID61277
IUPAC Name2-isocyanatopropane
Molecular FormulaC4H7NO
Molecular Weight85.10
XLogP1.8
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity71
SMILES
CC(C)N=C=O
InChI
InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3
InChIKey
GSLTVFIVJMCNBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl isocyanate
CAS: 1795-48-8
CID: 61277
Formula: C4H7NO
MW: 85.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight85.10
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass85.052763847
Monoisotopic Mass85.052763847
Topological Polar Surface Area29.4 Ų
Heavy Atom Count6
Formal Charge0
Complexity71.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes