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CAS 1978-39-8 5-Fluoro-2-methoxyaniline molecular structure lightbox
CAS RN: 1978-39-8

5-Fluoro-2-methoxyaniline

  • Product code: SSC-093234
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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, 10g, 5g, 25g, 100g, 1000g
  • 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 1978-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

1978-39-8 / 5-fluoro-2-methoxyaniline

Standard CAS: 1978-39-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1978-39-8
Multi CAS
No
Molecular Formula
C7H8FNO
Molecular Weight
141.140000
Exact Mass
141.058992
SMILES
COC1=C(C=C(C=C1)F)N
InChI
InChI=1S/C7H8FNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey
VYZUBHRSGQAROM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.36
TPSA
35.25

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.58

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)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (15.2%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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