CAS RN: 20265-96-7
4-Chloroaniline Hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-095419
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: 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
20265-96-7 / 4-chloroaniline;hydrochloride
Basic Information
CAS
20265-96-7
Multi CAS
No
Molecular Formula
C6H7Cl2N
Molecular Weight
164.030000
Exact Mass
162.995555
SMILES
C1=CC(=CC=C1N)Cl.Cl
InChI
InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKey
ISJBQSJDQZLCSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.11
TPSA
26.02
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.06
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
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (90.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H317 (90.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H331 (90.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H350 (90.9%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
