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CAS 13631-21-5 4-Bromo-3-chlorophenol molecular structure lightbox
CAS RN: 13631-21-5

4-Bromo-3-chlorophenol

  • Product code: SSC-045206
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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: 1g, 5g, 25g, 10g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 13631-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

13631-21-5 / 4-bromo-3-chlorophenol

Standard CAS: 13631-21-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13631-21-5
Multi CAS
No
Molecular Formula
C6H4BrClO
Molecular Weight
207.450000
Exact Mass
205.913410
SMILES
C1=CC(=C(C=C1O)Cl)Br
InChI
InChI=1S/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
FQEYHIPPYOSPLF-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
40.82
TPSA
20.23

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
3.4
Consensus LogP
2.89
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-1.99

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
H302+H312 (75.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] H302 (94.6%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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