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CAS 114772-53-1 2-Cyano-4′-methylbiphenyl molecular structure lightbox
CAS RN: 114772-53-1

2-Cyano-4′-methylbiphenyl

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100g In stock Inquiry
Batchno.20260120 10g In stock Inquiry
Batchno.20250623 25g In stock Inquiry
Batchno.20250123 500g In stock Inquiry
Batchno.20260610 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250105 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250626 1kg In stock Shanghai, Tianjin Inquiry
Batchno.20251206 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260422 500g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250423 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251215 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014501
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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: 10g, 100g, 25g, 500g, 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 114772-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
100g -- 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 4 In Stock Hong Kong Inquiry
500g -- 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

114772-53-1 / 2-(4-methylphenyl)benzonitrile

2-Cyano-4'-methylbiphenyl | 4'-Methylbiphenyl-2-carbonitrile | O417TI15TA

Standard CAS: 114772-53-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114772-53-1
Multi CAS
Yes
Molecular Formula
C14H11N
Molecular Weight
193.240000
Exact Mass
193.089149
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C#N
InChI
InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
InChIKey
ZGQVZLSNEBEHFN-UHFFFAOYSA-N
Synonyms
2-Cyano-4'-methylbiphenyl 4'-Methylbiphenyl-2-carbonitrile O417TI15TA DTXSID0057623 DTXCID1031412

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.33
TPSA
23.79

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (93.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (93.8%): Harmful if inhaled [Warning Acute toxicity, inhalation] H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

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