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CAS 1864-94-4 Phenyl Formate molecular structure lightbox
CAS RN: 1864-94-4

Phenyl Formate

  • Product code: SSC-086455
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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: 5g, 10g, 100g, 25g, 1g, 500g
  • Available purity: >97%
  • 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 1864-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

1864-94-4 / phenyl formate

Standard CAS: 1864-94-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1864-94-4
Multi CAS
No
Molecular Formula
C7H6O2
Molecular Weight
122.120000
Exact Mass
122.036779
SMILES
C1=CC=C(C=C1)OC=O
InChI
InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H
InChIKey
GEOWCLRLLWTHDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.13
TPSA
26.3

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.6

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 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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