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CAS 110888-15-8 4-Chloro-3-fluorobenzonitrile molecular structure lightbox
CAS RN: 110888-15-8

4-Chloro-3-fluorobenzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011821
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • 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 110888-15-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

110888-15-8 / 4-chloro-3-fluorobenzonitrile

4-Chloro-3-fluorobenzonitrile | DTXSID80371427 | RefChem:291640

Standard CAS: 110888-15-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110888-15-8
Multi CAS
Yes
Molecular Formula
C7H3ClFN
Molecular Weight
155.550000
Exact Mass
154.993805
SMILES
C1=CC(=C(C=C1C#N)F)Cl
InChI
InChI=1S/C7H3ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
GWZQVECNESCSKR-UHFFFAOYSA-N
Synonyms
4-Chloro-3-fluorobenzonitrile DTXSID80371427 RefChem:291640 DTXCID50322461 642-455-3

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
2.4
Consensus LogP
2.27
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
H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (75%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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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