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CAS 170572-49-3 3-Fluoro-p-tolunitrile molecular structure lightbox
CAS RN: 170572-49-3

3-Fluoro-p-tolunitrile

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260627 100g In stock Inquiry
Batchno.20260622 1g In stock Inquiry
Batchno.20260228 25g In stock Inquiry
Batchno.20250913 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260604 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100g In stock Shanghai Inquiry
Batchno.20260516 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251024 500g In stock Shanghai Inquiry
Batchno.20250408 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-075077
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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: 10g, 25g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 170572-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
100g >97% 2 In Stock Shenzhen Inquiry

170572-49-3 / 3-fluoro-4-methylbenzonitrile

Standard CAS: 170572-49-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170572-49-3
Multi CAS
No
Molecular Formula
C8H6FN
Molecular Weight
135.140000
Exact Mass
135.048427
SMILES
CC1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey
KUQQONVKIURIQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
35.85
TPSA
23.79

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (80%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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