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CAS 1008361-80-5 4-broMo-3-chloro-benzene-l,2-diaMine molecular structure lightbox
CAS RN: 1008361-80-5

4-broMo-3-chloro-benzene-l,2-diaMine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001568
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1008361-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1008361-80-5 / 4-bromo-3-chlorobenzene-1,2-diamine

4-bromo-3-chlorobenzene-1,2-diamine | RefChem:519903 | 107-816-7

Standard CAS: 1008361-80-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008361-80-5
Multi CAS
No
Molecular Formula
C6H6BrClN2
Molecular Weight
221.480000
Exact Mass
219.940290
SMILES
C1=CC(=C(C(=C1N)N)Cl)Br
InChI
InChI=1S/C6H6BrClN2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey
VSDGRNKLELOPOS-UHFFFAOYSA-N
Synonyms
4-bromo-3-chlorobenzene-1,2-diamine RefChem:519903 107-816-7 4-bromo-3-chloro-benzene-1,2-diamine 1,2-Benzenediamine, 4-bromo-3-chloro-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.98
TPSA
52.04

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.9
Consensus LogP
2.06
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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