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CAS 101184-73-0 2-(4-Bromophenyl)-2-methylpropanenitrile molecular structure lightbox
CAS RN: 101184-73-0

2-(4-Bromophenyl)-2-methylpropanenitrile

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250810 1g / 5g / 25g Confirm by inquiry Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 1g In stock Inquiry
Batchno.20260127 250mg In stock Inquiry
Batchno.20251121 25g In stock Inquiry
Batchno.20260122 5g In stock Inquiry
  • Product code: SSC-002035
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101184-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

101184-73-0 / 2-(4-bromophenyl)-2-methylpropanenitrile

2-(4-Bromophenyl)-2-methylpropanenitrile | DTXSID90440012 | RefChem:251998

Standard CAS: 101184-73-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101184-73-0
Multi CAS
No
Molecular Formula
C10H10BrN
Molecular Weight
224.100000
Exact Mass
222.999660
SMILES
CC(C)(C#N)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChIKey
DABJLFKRJWUXMV-UHFFFAOYSA-N
Synonyms
2-(4-Bromophenyl)-2-methylpropanenitrile DTXSID90440012 RefChem:251998 DTXCID20390834 802-537-3

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.78
TPSA
23.79

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.78

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302+H332 (95%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (95%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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