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Stearyl isocyanate 96.5%

CAT: 0286-S09060-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-S09060-01Size:5 g
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CAS Number
112-96-9
UN Code
UN2206
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00002041
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled; H335 May cause respiratory irritation.
DOT Name
Isocyanates, Toxic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P285 In case of inadequate ventilation 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; P342+P311 IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

Chemical Information

Octadecyl isocyanate
CAS Number112-96-9
PubChem CID66988
IUPAC Name1-isocyanatooctadecane
Molecular FormulaC19H37NO
Molecular Weight295.5
XLogP9.8
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity234
SMILES
CCCCCCCCCCCCCCCCCCN=C=O
InChI
InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3
InChIKey
QWDQYHPOSSHSAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octadecyl isocyanate
CAS: 112-96-9
CID: 66988
Formula: C19H37NO
MW: 295.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.5
XLogP39.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass295.287514804
Monoisotopic Mass295.287514804
Topological Polar Surface Area29.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity234
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

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S09130-01Stearyl tartrate
F034905-Fluoro-2-methylphenyl isocyanate 97%
O02020-01Octyl isocyanate
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Alternative Products

CatalogName
02563 00500Stearyl Alcohol 96% Extrapure
sc-2269805-Indanyl isocyanate
273220-012,5-Dimethoxyphenyl isocyanate
sc-2520543,5-Difluorophenyl isocyanate
sc-263012ABenzofuran-5-yl isocyanate
sc-2320873,5-Dichlorophenyl isocyanate
26-6617-06Stearyl C18 (5') LMO 5 umol scale
54132-75-13,5-DIMETHYLPHENYL ISOCYANATE
sc-2321193,5-Dimethoxyphenethyl isocyanate
sc-2321213,5-Dimethoxyphenyl isocyanate

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