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CAS 133115-72-7 4-(Trifluoromethoxy)phenylhydrazine Hydrochloride molecular structure lightbox
CAS RN: 133115-72-7

4-(Trifluoromethoxy)phenylhydrazine Hydrochloride

  • Product code: SSC-039806
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 133115-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g -- 1 In Stock Hong Kong Inquiry
25g ≥98% 1 In Stock Shenzhen Inquiry
100g -- 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

133115-72-7 / [4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride

Standard CAS: 133115-72-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133115-72-7
Multi CAS
No
Molecular Formula
C7H8ClF3N2O
Molecular Weight
228.600000
Exact Mass
228.027725
SMILES
C1=CC(=CC=C1NN)OC(F)(F)F.Cl
InChI
InChI=1S/C7H7F3N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
InChIKey
KQXZVSQCMVKMBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.18
TPSA
47.28

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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