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Cholesteryl chloroacetate 97%

CAT: 0286-C20840-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-C20840-01Size:25 g
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CAS Number
3464-50-4
UN Code
UN3261
Pictogram
05 - Corrosive
UDF Signal Word
Danger
MDL Number
MFCD00003637
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Corrosive Solid, Acidic, Organic, N.O.S.
DOT Classification
Class 8
Packaging Group
PGII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; 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.

Chemical Information

Cholest-5-en-3-yl chloroacetate
CAS Number3464-50-4
PubChem CID265951
IUPAC Name[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
Molecular FormulaC29H47ClO2
Molecular Weight463.1
XLogP9.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity714
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCl)C)C
InChI
InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3
InChIKey
XUXXPLDKUZSGKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cholest-5-en-3-yl chloroacetate
CAS: 3464-50-4
CID: 265951
Formula: C29H47ClO2
MW: 463.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.1
XLogP39.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass462.3264584
Monoisotopic Mass462.3264584
Topological Polar Surface Area26.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C21150-01Cholesteryl pelargonate 97%
C20858Cholesteryl cinnamate 97%
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B28070-01N-Butyl chloroacetate
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Alternative Products

CatalogName
AAA14018Benzyl chloroacetate
166572Sodium α-Chloroacetate
TRC-D552460-250MGDodecyl Chloroacetate
14918-12Ethyl Chloroacetate
455874-01Methyl Chloroacetate
TRC-S615200-1KGSodium a-Chloroacetate
sc-253827Vinyl chloroacetate
sc-251015ASodium chloroacetate
sc-269274Isopropyl chloroacetate
OR25297Cyclohexyl chloroacetate

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