CAS 106-46-7 1,4-Dichlorobenzene molecular structure

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CAS RN: 106-46-7

1,4-Dichlorobenzene

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Product code: SSC-007648

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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: 500g
Available purity: ≥95%
Inventory rows with stock: 0
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 106-46-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
500g	≥95%	0 Out of Stock	Shenzhen	Inquiry

106-46-7 / 1,4-dichlorobenzene

1,4-DICHLOROBENZENE | p-Dichlorobenzene | paradichlorobenzene

Standard CAS: 106-46-7 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

106-46-7

Multi CAS

Yes

Molecular Formula

C6H4Cl2

Molecular Weight

147.000000

Exact Mass

145.969006

SMILES

C1=CC(=CC=C1Cl)Cl

InChI

InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

InChIKey

OCJBOOLMMGQPQU-UHFFFAOYSA-N

Synonyms

1,4-DICHLOROBENZENE p-Dichlorobenzene paradichlorobenzene Paracide Paramoth

Physical Properties

Melting Point

127 °F (NTP, 1992) 53 °C 53.1 °C 52.7 °C 128 °F

Boiling Point

345 °F at 760 mmHg (NTP, 1992) 173.9 °C 174 °C 345 °F

Density

1.458 at 68 °F (USCG, 1999) - Denser than water; will sink 1.2475 g/cu cm at 25 °C Density: 1.4581 at 20.5 °C/4 °C 1.2 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01

Physical Description

P-dichlorobenzene appears as a white colored liquid with the odor of moth balls. Denser than water and insoluble in water. Flash point below 200 °F. Used as a moth repellent, to make other chemicals, as a fumigant, and for many other uses. Other Solid; Pellets or Large Crystals Colorless or white crystalline solid with a mothball-like odor. [insecticide]; [NIOSH] Solid COLOURLESS-TO-WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.

Appearance

White crystals Volatile crystals White crystals or leaflets Colorless or white crystalline solid

State

Solid

Storage Conditions

Separated from strong oxidants and food and feedstuffs. Provision to contain effluent from fire extinguishing. Keep in a well-ventilated room. Store in an area without drain or sewer access. Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): 13: Non Combustible Solids. Store in cool, dry, well-ventilated location. Separate from oxidizing materials. /o-Dichlorobenzene/ Store in a cool, dry, well-ventilated area between 32 °F and 80 °F. Storage below 80 °F will cause crystals to turn white; storage above 80 °F will cause crystals to fuse and cake. Short-term exposure to extremely high temperatures, above 80 °F, can rapidly cause caking. Inspection of containers should be made within ten days of receipt to determine whether fusing or caking has occurred in transit. Store only in closed, properly labeled containers. /99.9% Paradichlorobenzene/ Safe Storage of Pesticides. Always store pesticides in their original containers, complete with labels that list ingredients, directions for use, and first aid steps in case of accidental poisoning. Never store pesticides in cabinets with or near food, animal feed, or medical supplies. Do not store pesticides in places where flooding is possible or in places where they might spill or leak into wells, drains, ground water, or surface water.

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Molar refractivity

36.46

TPSA

0.0000

LogP / Solubility

WLOGP

2.99

MLOGP

2.63

XLogP3

3.4

Consensus LogP

3.01

Log S (ESOL)

-3.19

Class (ESOL)

Poorly soluble

Log S (Ali)

-2.93

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.1

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.49

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Health Hazard Environmental Hazard Irritant

Signal

Warning Danger

GHS Hazard Statements

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H351: Suspected of causing cancer [Warning Carcinogenicity] 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] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P203, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P391, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501

Hazard Class/Division

Packing Group

III

1,4-Dichlorobenzene

Product Availability

Historical Supply Reference

Reference Pack Sizes

106-46-7 / 1,4-dichlorobenzene

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Safety & Transport

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