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CAS 1514-96-1 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE molecular structure lightbox
CAS RN: 1514-96-1

4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE

  • Product code: SSC-061250
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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: 0.25g, 10g, 25g, 1g, 0.1g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1514-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 4 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

1514-96-1 / 4-chloro-2-(trifluoromethyl)pyrimidine

Standard CAS: 1514-96-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1514-96-1
Multi CAS
No
Molecular Formula
C5H2ClF3N2
Molecular Weight
182.530000
Exact Mass
181.985860
SMILES
C1=CN=C(N=C1Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChIKey
OVEGSCLVOXWLIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
32.04
TPSA
25.78

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.31

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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