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CAS 107392-33-6 3,4-DIFLUORO-BENZAMIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 107392-33-6

3,4-DIFLUORO-BENZAMIDINE HYDROCHLORIDE

  • Product code: SSC-008976
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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: ＞97%
  • 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 107392-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

107392-33-6 / 3,4-difluorobenzenecarboximidamide;hydrochloride

DTXSID10600151 | 3,4-Difluorobenzene-1-carboximidamide--hydrogen chloride (1/1) | RefChem:270926

Standard CAS: 107392-33-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107392-33-6
Multi CAS
No
Molecular Formula
C7H7ClF2N2
Molecular Weight
192.590000
Exact Mass
192.026582
SMILES
C1=CC(=C(C=C1C(=N)N)F)F.Cl
InChI
InChI=1S/C7H6F2N2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,(H3,10,11);1H
InChIKey
WIFHYQZBCRLTBT-UHFFFAOYSA-N
Synonyms
DTXSID10600151 3,4-Difluorobenzene-1-carboximidamide--hydrogen chloride (1/1) RefChem:270926 DTXCID50550909 3,4-Difluorobenzimidamide hydrochloride

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
44.62
TPSA
49.87

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.71

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)
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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