Basic information
- CAS
3464-50-4- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
XUXXPLDKUZSGKH-OHPSOFBHSA-N- Molecular formula
- C29H47ClO2
- Average molar mass
- 463.1 g/mol
- Monoisotopic mass
- 462.3264584
Names & identifiers
- Preferred name
- Cholesteryl chloroacetate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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
- English name
- Cholesteryl chloroacetate
- Molecular formula
- C29H47ClO2
- Molecular weight
- 463.14
Names & synonyms
Cholesteryl chloroacetateRefChem:576066cholesterol chloroacetate3464-50-4[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chloroacetate3Beta-chloroacetoxycholest-5-eneEINECS 222-415-8Cholest-5-ene-3-beta-yl chloroacetateSCHEMBL1626763.beta.-(Chloroacetoxy)cholest-5-eneAKOS015955665
Show more names
CHOLESTERYL CHLOROACETAECholesterolchloroacetateCHOLESTERYL MONOCHLOROACETATECHOLESTERYL CHLOROACETATE 97%5-CHOLESTEN-3β-OL CHLOROACETATE3BETA-CHLOROACETOXY-5-CHOLESTENECholest-5-en-3β-ol chloroacetate3β-(Chloroacetoxy)cholesta-5-ene5-CHOLESTEN-3-BETA-OL CHLOROACETATE
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
1 records
Compound notes
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