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CAS 1016-77-9 3-Bromobenzophenone molecular structure lightbox
CAS RN: 1016-77-9

3-Bromobenzophenone

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100g In stock Inquiry
Batchno.20250308 1g In stock Inquiry
Batchno.20251124 1g In stock Inquiry
Batchno.20250219 25g In stock Inquiry
Batchno.20260509 25g In stock Inquiry
Batchno.20251103 5g In stock Inquiry
Batchno.20260308 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-002428
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1016-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

1016-77-9 / (3-bromophenyl)-phenylmethanone

3-Bromobenzophenone | EINECS 213-808-5 | DTXSID10144045

Standard CAS: 1016-77-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1016-77-9
Multi CAS
Yes
Molecular Formula
C13H9BrO
Molecular Weight
261.110000
Exact Mass
259.983680
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
XNUMUNIJQMSNNN-UHFFFAOYSA-N
Synonyms
3-Bromobenzophenone EINECS 213-808-5 DTXSID10144045 RefChem:93238 DTXCID5066536

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
64.02
TPSA
17.07

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
4
Consensus LogP
3.64
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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