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CAS 1171478-64-0 2-CHLORO-4-FLUORO-BENZAMIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1171478-64-0

2-CHLORO-4-FLUORO-BENZAMIDINE HYDROCHLORIDE

  • Product code: SSC-016993
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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: 5g
  • Available purity: ≥95%
  • 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 1171478-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1171478-64-0 / 2-chloro-4-fluorobenzenecarboximidamide;hydrochloride

2-CHLORO-4-FLUORO-BENZAMIDINE HYDROCHLORIDE | RefChem:468981 | 800-673-8

Standard CAS: 1171478-64-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171478-64-0
Multi CAS
No
Molecular Formula
C7H7Cl2FN2
Molecular Weight
209.050000
Exact Mass
207.997032
SMILES
C1=CC(=C(C=C1F)Cl)C(=N)N.Cl
InChI
InChI=1S/C7H6ClFN2.ClH/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3H,(H3,10,11);1H
InChIKey
AKMXCYMYEFFHEH-UHFFFAOYSA-N
Synonyms
2-CHLORO-4-FLUORO-BENZAMIDINE HYDROCHLORIDE RefChem:468981 800-673-8 2-CHLORO-4-FLUOROBENZIMIDAMIDE HYDROCHLORIDE MFCD04114447

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.67
TPSA
49.87

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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