![CAS 1040141-34-1 3′-Bromo[1,1′-biphenyl]-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5964-jpgcontextbwfzdgvyfhjvb3r8mzezodb8aw1hz2uvanblz3xootmvadg5lzg5mjkymjq3ntmxodivqju5njquanbnfdkyngu2zjhknwe1ztaxowqxntdhyzazmza1yty1ytuyntk3yzawngnhyznjmtvkotc1ndexnjeznzi4mjbmmtk.jpeg)
CAS RN: 1040141-34-1
3′-Bromo[1,1′-biphenyl]-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-005782
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
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1040141-34-1 / 3-(3-bromophenyl)benzonitrile
3'-Bromo[1,1'-biphenyl]-3-carbonitrile | 3'-Bromo(1,1'-biphenyl)-3-carbonitrile | RefChem:484615
Basic Information
CAS
1040141-34-1
Multi CAS
No
Molecular Formula
C13H8BrN
Molecular Weight
258.110000
Exact Mass
256.984010
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)Br)C#N
InChI
InChI=1S/C13H8BrN/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-8H
InChIKey
ZGFNNKFDFLYWQM-UHFFFAOYSA-N
Synonyms
3'-Bromo[1,1'-biphenyl]-3-carbonitrile
3'-Bromo(1,1'-biphenyl)-3-carbonitrile
RefChem:484615
823-784-3
3-(3-bromophenyl)benzonitrile
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
64.29
TPSA
23.79
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Customers Also Viewed
-
-
-
4′-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-4-carbonitrile
- CAS RN: 406482-72-2
- Product Code: SSC-148955
-
-
-
![CAS 406482-72-2 4′-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3912-jpgcontextbwfzdgvyfhjvb3r8mty2ndf8aw1hz2uvanblz3xoyjyvadqzlzkwotqwmzu1mduxodivvdm5mtiuanbnfgixy2yxmge1nzflodu1otljmji4zdazywu4mtmwyzmzoguxy2u2zmiymtuxogu0otkyowrmzgnizmy1mjc3nmm.jpeg)
