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CAS 104-86-9 4-Chlorobenzylamine molecular structure lightbox
CAS RN: 104-86-9

4-Chlorobenzylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005755
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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: 5g, 10g, 100g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
25g >97% 4 In Stock Shenzhen Inquiry

104-86-9 / (4-chlorophenyl)methanamine

4-Chlorobenzylamine | (4-Chlorophenyl)methanamine | p-Chlorobenzylamine

Standard CAS: 104-86-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-86-9
Multi CAS
Yes
Molecular Formula
C7H8ClN
Molecular Weight
141.600000
Exact Mass
141.034527
SMILES
C1=CC(=CC=C1CN)Cl
InChI
InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey
YMVFJGSXZNNUDW-UHFFFAOYSA-N
Synonyms
4-Chlorobenzylamine (4-Chlorophenyl)methanamine p-Chlorobenzylamine Benzenemethanamine, 4-chloro- 1-(4-chlorophenyl)methanamine

Physical Properties

Physical Description
Colorless liquid with an amine-like odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.34
TPSA
26.02

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.31

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302+H312 (75.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] H302 (86.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (86.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

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