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CAS 1195-45-5 4-Fluorophenyl Isocyanate molecular structure lightbox
CAS RN: 1195-45-5

4-Fluorophenyl Isocyanate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
  • Product code: SSC-020037
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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: 100g, 10g, 5g, 25g, 500g
  • Available purity: ≥98%
  • 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 1195-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 4 In Stock Hong Kong Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
25g ≥98% 1 In Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

1195-45-5 / 1-fluoro-4-isocyanatobenzene

4-Fluorophenyl isocyanate | Benzene, 1-fluoro-4-isocyanato- | EINECS 214-799-0

Standard CAS: 1195-45-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1195-45-5
Multi CAS
No
Molecular Formula
C7H4FNO
Molecular Weight
137.110000
Exact Mass
137.027692
SMILES
C1=CC(=CC=C1N=C=O)F
InChI
InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey
DSVGFKBFFICWLZ-UHFFFAOYSA-N
Synonyms
4-Fluorophenyl isocyanate Benzene, 1-fluoro-4-isocyanato- EINECS 214-799-0 DTXSID00152472 NSC 82348

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.18
TPSA
29.43

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2.8
Consensus LogP
2.05
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H301 (14.6%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (85.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

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