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CAS 1138011-22-9 2,2,2-TRIFLUORO-1-PYRIDIN-3-YL-ETHYL-AMMONIUM, CHLORIDE molecular structure lightbox
CAS RN: 1138011-22-9

2,2,2-TRIFLUORO-1-PYRIDIN-3-YL-ETHYL-AMMONIUM, CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013797
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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: ≥95%
  • 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 1138011-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1138011-22-9 / 2,2,2-trifluoro-1-pyridin-3-ylethanamine;hydrochloride

2-(Trifluoromethyl)Phenylhydrazine Hydrochloride | RefChem:462582 | 642-600-0

Standard CAS: 1138011-22-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1138011-22-9
Multi CAS
Yes
Molecular Formula
C7H8ClF3N2
Molecular Weight
212.600000
Exact Mass
212.032810
SMILES
C1=CC(=CN=C1)C(C(F)(F)F)N.Cl
InChI
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)6(11)5-2-1-3-12-4-5;/h1-4,6H,11H2;1H
InChIKey
NLDVAGWIUPSGQC-UHFFFAOYSA-N
Synonyms
2-(Trifluoromethyl)Phenylhydrazine Hydrochloride RefChem:462582 642-600-0 MFCD00102619 2-(trifluoromethyl)phenylhydrazine hcl

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.47
TPSA
38.91

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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 (100%): 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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