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CAS 1978-38-7 2-Fluoro-N-methylaniline molecular structure lightbox
CAS RN: 1978-38-7

2-Fluoro-N-methylaniline

  • Product code: SSC-093233
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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, 5g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1978-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

1978-38-7 / 2-fluoro-N-methylaniline

Standard CAS: 1978-38-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1978-38-7
Multi CAS
No
Molecular Formula
C7H8FN
Molecular Weight
125.140000
Exact Mass
125.064077
SMILES
CNC1=CC=CC=C1F
InChI
InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
LDVAIJZDACHGML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.95
TPSA
12.03

LogP / Solubility

WLOGP
1.87
MLOGP
1.63
XLogP3
2
Consensus LogP
1.83
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-2.16

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H227 (25%): Combustible liquid [Warning Flammable liquids] H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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