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CAS 101-17-7 3-CHLORODIPHENYLAMINE molecular structure lightbox
CAS RN: 101-17-7

3-CHLORODIPHENYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-001808
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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: ≥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 101-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101-17-7 / 3-chloro-N-phenylaniline

3-Chlorodiphenylamine | Benzenamine, 3-chloro-N-phenyl- | EINECS 202-922-0

Standard CAS: 101-17-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101-17-7
Multi CAS
No
Molecular Formula
C12H10ClN
Molecular Weight
203.670000
Exact Mass
203.050177
SMILES
C1=CC=C(C=C1)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKey
OHHIBZKYXJDQEU-UHFFFAOYSA-N
Synonyms
3-Chlorodiphenylamine Benzenamine, 3-chloro-N-phenyl- EINECS 202-922-0 DTXSID70143615 RefChem:500483

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
4.1
Consensus LogP
3.92
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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