CAS RN: 1194-65-6
2,6-Dichlorobenzonitrile
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock3 grade groups
- Product code: SSC-019943
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: 10g, 5g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
1194-65-6 / 2,6-dichlorobenzonitrile
2,6-Dichlorobenzonitrile | dichlobenil | Benzonitrile, 2,6-dichloro-
Basic Information
CAS
1194-65-6
Multi CAS
Yes
Molecular Formula
C7H3Cl2N
Molecular Weight
172.010000
Exact Mass
170.964255
SMILES
C1=CC(=C(C(=C1)Cl)C#N)Cl
InChI
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
YOYAIZYFCNQIRF-UHFFFAOYSA-N
Synonyms
2,6-Dichlorobenzonitrile
dichlobenil
Benzonitrile, 2,6-dichloro-
Dichlobanil
Casoron
Physical Properties
Melting Point
293 to 294.8 °F (USCG, 1999)
144-145 °C
145-146 °C
Boiling Point
518 °F at 760 mmHg (USCG, 1999)
270 °C
Density
1.3 g/cm³
Physical Description
Dichlobenil is a white solid dissolved or suspended in a water-emulsifiable liquid carrier. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Can easily penetrate the soil and contaminate groundwater and nearby streams. Can cause illness by inhalation, skin absorption and/or ingestion. Used as a herbicide.
Dichlobenil, [other than liquid] appears as a white solid. It is a wettable powder. It can cause illness by inhalation, skin absorption, and/or ingestion. Used as a herbicide. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment.
White to off-white solid; [ICSC] White solid; Formulated as granular, ready-to-use liquid, soluble concentrate, and wettable powder; [Reference #1] Light grey powder;
WHITE-TO-OFF-WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
White crystalline solid
State
Solid
Storage Conditions
Provision to contain effluent from fire extinguishing. Separated from oxidants and food and feedstuffs. Store in an area without drain or sewer access.
The shelf life in storage is at least 2 yr when stored in a cool, dry place. In view of its volatility, the product should be packed in tightly closed containers.
Rooms used for storage only should be soundly constructed and fitted with secure locks. Floors should be kept clear and the pesticides clearly identified. /Pesticides/
Store in a dry place. Do not store with propagative structures such as seeds, bulbs, tubers, nursery stock etc, or with food or feed products.
Provision to contain effluent from fire extinguishing. Separated from oxidants, food and feedstuffs. Store in an area without drain or sewer access.
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
41.18
TPSA
23.79
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H312 (99%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H411 (99%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H351: Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P273, P280, P302+P352, P317, P321, P362+P364, P391, and P501
P203, P260, P264, P270, P280, P318, P319, P405, and P501
P273, P391, and P501
P260, P301+P317, P319, and P501
