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CAS 115-20-8 2,2,2-Trichloroethanol molecular structure lightbox
CAS RN: 115-20-8

2,2,2-Trichloroethanol

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 5g In stock Shandong Inquiry
  • Product code: SSC-014678
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

115-20-8 / 2,2,2-trichloroethanol

2,2,2-TRICHLOROETHANOL | Trichloroethanol | Ethanol, 2,2,2-trichloro-

Standard CAS: 115-20-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
115-20-8
Multi CAS
Yes
Molecular Formula
C2H3Cl3O
Molecular Weight
149.400000
Exact Mass
147.924948
SMILES
C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
KPWDGTGXUYRARH-UHFFFAOYSA-N
Synonyms
2,2,2-TRICHLOROETHANOL Trichloroethanol Ethanol, 2,2,2-trichloro- Trichloroethyl alcohol 2,2,2-Trichloroethan-1-ol

Physical Properties

Melting Point
19 °C
Physical Description
Hygroscopic liquid with an ethereal odor; mp = 18 deg C; [Merck Index] Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.38
TPSA
20.23

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (10.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H336 (93.9%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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