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CAS 1205-71-6 4-CHLORODIPHENYLAMINE molecular structure lightbox
CAS RN: 1205-71-6

4-CHLORODIPHENYLAMINE

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 1g In stock Inquiry
Batchno.20260530 200mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021535
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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 1205-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1205-71-6 / 4-chloro-N-phenylaniline

4-chloro-N-phenylaniline | RefChem:521901 | 112-568-8

Standard CAS: 1205-71-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1205-71-6
Multi CAS
No
Molecular Formula
C12H10ClN
Molecular Weight
203.670000
Exact Mass
203.050177
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKey
VPRIGCVCJPKVFZ-UHFFFAOYSA-N
Synonyms
4-chloro-N-phenylaniline RefChem:521901 112-568-8 4-Chlorodiphenylamine 4-CHLORO-N-PHENYLBENZENAMINE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.18
TPSA
12.03

LogP / Solubility

WLOGP
4.08
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.82
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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