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: 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
94-52-0 / 6-nitro-1H-benzimidazole
Basic Information
CAS
94-52-0
Multi CAS
Yes
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
InChI
InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKey
XPAZGLFMMUODDK-UHFFFAOYSA-N
Physical Properties
Melting Point
405 to 408 °F (NTP, 1992)
203 °C
MP: 209-210 °C
Physical Description
6-nitrobenzimidazole is an off-white to pale yellow fluffy powder. (NTP, 1992)
Off-white to pale yellow solid; [CAMEO] Tan powder
Appearance
Solid
NEEDLES FROM WATER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.75
TPSA
71.82
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.67
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
Applications of CAS 94-52-0
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 94-52-0 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 6-nitro-1H-benzimidazole |
Safety Information (GHS)
Pictogram(s): GHS07, GHS08. Signal word: Warning.
- H315 (83.7%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (83.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (83.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
- H351 (10.2%): Suspected of causing cancer [Warning Carcinogenicity]
- H412 (10.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary statements: P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
