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Stearoyl chloride 97%

CAT: 0286-S08870-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-S08870-01Size:25 g
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CAS Number
112-76-5
Synonyms
Octadecanoyl chloride; Stearic acid chloride
UN Code
UN3265
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00000744
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
Other Statements
EUH014 Reacts violently with water; EUH029 Contact with water liberates toxic gas
DOT Name
Corrosive Liquid, Acidic, Organic, N.O.S.
DOT Classification
Class 8
Packaging Group
PGII
Precautions
P223 Keep away from any possible contact with water, because of violent reaction and possible flash fire; P231+P232 Handle under inert gas. Protect from moisture; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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.

Chemical Information

Stearoyl chloride
CAS Number112-76-5
PubChem CID8212
IUPAC Nameoctadecanoyl chloride
Molecular FormulaC18H35ClO
Molecular Weight302.9
XLogP8.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stearoyl chloride
CAS: 112-76-5
CID: 8212
Formula: C18H35ClO
MW: 302.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.9
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass302.2376434
Monoisotopic Mass302.2376434
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity204
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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