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CAS 10199-89-0 NBD-Cl (=4-Chloro-7-nitro-2,1,3-benzoxadiazole) [for HPLC Labeling] molecular structure lightbox
CAS RN: 10199-89-0

NBD-Cl (=4-Chloro-7-nitro-2,1,3-benzoxadiazole) [for HPLC Labeling]

Product Availability

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12 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 100mg In stock Inquiry
Batchno.20251118 1g In stock Inquiry
Batchno.20250813 200mg Out of stock Inquiry
Batchno.20260127 250mg In stock Inquiry
Batchno.20250721 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260614 100mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
Batchno.20250518 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260626 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251223 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250523 500g Out of stock Inquiry
Batchno.20250923 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-003150
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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 10199-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10199-89-0 / 4-chloro-7-nitro-2,1,3-benzoxadiazole

4-Chloro-7-nitrobenzofurazan | 4-Chloro-7-nitro-2,1,3-benzoxadiazole | NBD-Cl

Standard CAS: 10199-89-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10199-89-0
Multi CAS
Yes
Molecular Formula
C6H2ClN3O3
Molecular Weight
199.550000
Exact Mass
198.978469
SMILES
C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey
IGHBXJSNZCFXNK-UHFFFAOYSA-N
Synonyms
4-Chloro-7-nitrobenzofurazan 4-Chloro-7-nitro-2,1,3-benzoxadiazole NBD-Cl 2,1,3-Benzoxadiazole, 4-chloro-7-nitro- NBD-chloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
43.47
TPSA
82.06

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (23.2%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (71.3%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501

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