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CAS 10531-50-7 (R)-(-)-α-(Trifluoromethyl)benzyl Alcohol molecular structure lightbox
CAS RN: 10531-50-7

(R)-(-)-α-(Trifluoromethyl)benzyl Alcohol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 1g In stock Shanghai Inquiry
Batchno.20250206 250mg In stock Shanghai Inquiry
Batchno.20260119 5g In stock Shanghai Inquiry
  • Product code: SSC-007047
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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: 0.25g
  • Available purity: ≥99%
  • 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 10531-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥99% 0 Out of Stock Beijing Inquiry

10531-50-7 / (1R)-2,2,2-trifluoro-1-phenylethanol

alpha-(Trifluoromethyl)benzyl alcohol | EINECS 206-430-7 | (S)-alpha-(Trifluoromethyl)benzyl alcohol

Standard CAS: 10531-50-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10531-50-7
Multi CAS
Yes
Molecular Formula
C8H7F3O
Molecular Weight
176.140000
Exact Mass
176.044899
SMILES
C1=CC=C(C=C1)[C@H](C(F)(F)F)O
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m1/s1
InChIKey
VNOMEAQPOMDWSR-SSDOTTSWSA-N
Synonyms
alpha-(Trifluoromethyl)benzyl alcohol EINECS 206-430-7 (S)-alpha-(Trifluoromethyl)benzyl alcohol RefChem:408089 206-430-7

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.46
TPSA
20.23

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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

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