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CAS 1836-75-5 2,4-Dichloro-4′-nitrobiphenyl Ether molecular structure lightbox
CAS RN: 1836-75-5

2,4-Dichloro-4′-nitrobiphenyl Ether

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100g In stock Shanghai Inquiry
Batchno.20250320 10g In stock Shanghai Inquiry
Batchno.20250405 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250604 25g In stock Shanghai Inquiry
Batchno.20260327 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 200mg In stock Inquiry
Batchno.20250416 50mg Out of stock Inquiry
  • Product code: SSC-084929
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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: 1g
  • 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 1836-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1836-75-5 / 2,4-dichloro-1-(4-nitrophenoxy)benzene

Standard CAS: 1836-75-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1836-75-5
Multi CAS
No
Molecular Formula
C12H7Cl2NO3
Molecular Weight
284.090000
Exact Mass
282.980299
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKey
XITQUSLLOSKDTB-UHFFFAOYSA-N

Physical Properties

Melting Point
158 to 160 °F (NTP, 1992) 70-71 °C 70 °C
Boiling Point
356 to 374 °F at 0.25 mmHg (NTP, 1992) BP: 180-190 °C at 0.25 mm Hg at 101.3kPa: 368 °C
Density
1.33 at 90 °C 1.3 g/cm³
Physical Description
Nitrofen appears as colorless crystals or black solid. Used as a pre- or post-emergence herbicide. Colorless to brown solid; Darkens on light exposure; [ICSC] White, yellow, or dark brown solid; [HSDB] Yellow crystalline solid; Solid COLOURLESS-TO-BROWN CRYSTALLINE POWDER. TURNS DARK ON EXPOSURE TO LIGHT.
Appearance
Crystalline solid White solid Crystals Yellow crystalline solid Free-flowing solid, dark brown color
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992) PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.63
TPSA
52.37

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
4.3
Consensus LogP
4.38
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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 Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H350: May cause cancer [Danger Carcinogenicity] H360D ***: May damage the unborn child [Danger Reproductive toxicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 P203, P280, P318, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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