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CAS 117482-84-5 3-Chloro-4-fluorobenzonitrile molecular structure lightbox
CAS RN: 117482-84-5

3-Chloro-4-fluorobenzonitrile

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260211 100g In stock Shanghai Inquiry
Batchno.20250308 10g In stock Shanghai, Chengdu Inquiry
Batchno.20260109 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260111 500g Out of stock Inquiry
Batchno.20260319 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-017343
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 117482-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

117482-84-5 / 3-chloro-4-fluorobenzonitrile

3-Chloro-4-fluorobenzonitrile | DTXSID10151794 | RefChem:93425

Standard CAS: 117482-84-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117482-84-5
Multi CAS
Yes
Molecular Formula
C7H3ClFN
Molecular Weight
155.550000
Exact Mass
154.993805
SMILES
C1=CC(=C(C=C1C#N)Cl)F
InChI
InChI=1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChIKey
VAHXXQJJZKBZDX-UHFFFAOYSA-N
Synonyms
3-Chloro-4-fluorobenzonitrile DTXSID10151794 RefChem:93425 DTXCID8074285 628-619-7

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.13
TPSA
23.79

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (85.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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