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CAS 114344-60-4 2-Amino-3-bromobenzonitrile molecular structure lightbox
CAS RN: 114344-60-4

2-Amino-3-bromobenzonitrile

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100g In stock Inquiry
Batchno.20260309 1g In stock Inquiry
Batchno.20250501 25g In stock Inquiry
Batchno.20250219 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014162
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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, 0.25g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • 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 114344-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

114344-60-4 / 2-amino-3-bromobenzonitrile

2-amino-3-bromobenzonitrile | DTXSID60404303 | RefChem:255350

Standard CAS: 114344-60-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114344-60-4
Multi CAS
Yes
Molecular Formula
C7H5BrN2
Molecular Weight
197.030000
Exact Mass
195.963610
SMILES
C1=CC(=C(C(=C1)Br)N)C#N
InChI
InChI=1S/C7H5BrN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
RTIWACSVMFUEBF-UHFFFAOYSA-N
Synonyms
2-amino-3-bromobenzonitrile DTXSID60404303 RefChem:255350 DTXCID90355157 640-254-5

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.27
TPSA
49.81

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
2.2
Consensus LogP
1.92
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.57

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+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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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