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CAS 116435-77-9 2-AMINO-3-BROMOPHENOL molecular structure lightbox
CAS RN: 116435-77-9

2-AMINO-3-BROMOPHENOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250103 10g In stock Inquiry
Batchno.20260309 1g In stock Inquiry
Batchno.20250309 250mg In stock Inquiry
Batchno.20250922 5g In stock Inquiry
  • Product code: SSC-016472
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 116435-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 4 In Stock Shenzhen Inquiry

116435-77-9 / 2-amino-3-bromophenol

2-Amino-3-bromophenol | DTXSID40617131 | RefChem:255352

Standard CAS: 116435-77-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116435-77-9
Multi CAS
No
Molecular Formula
C6H6BrNO
Molecular Weight
188.020000
Exact Mass
186.963280
SMILES
C1=CC(=C(C(=C1)Br)N)O
InChI
InChI=1S/C6H6BrNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
InChIKey
JBNSVEGZVHJLMS-UHFFFAOYSA-N
Synonyms
2-Amino-3-bromophenol DTXSID40617131 RefChem:255352 DTXCID00567885 Phenol, 2-amino-3-bromo-

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.22
TPSA
46.25

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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