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: 25g, 100g, 500g
- Available purity: ＞97%
- 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.
103-70-8 / N-phenylformamide
Formanilide | N-PHENYLFORMAMIDE | N-Formylaniline
Basic Information
CAS
103-70-8
Multi CAS
Yes
Molecular Formula
C7H7NO
Molecular Weight
121.140000
Exact Mass
121.052764
SMILES
C1=CC=C(C=C1)NC=O
InChI
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey
DYDNPESBYVVLBO-UHFFFAOYSA-N
Synonyms
Formanilide
N-PHENYLFORMAMIDE
N-Formylaniline
Phenyl formamide
Formylaniline
Physical Properties
Melting Point
115.9 to 117.5 °F (NTP, 1992)
46.6-47.5 °C
Boiling Point
520 °F at 760 mmHg (NTP, 1992)
271 °C
Density
1.144 at 68 °F (NTP, 1992) - Denser than water; will sink
1.186 @ 50 °C
Physical Description
Formanilide is a white crystalline solid. (NTP, 1992)
White solid; [HSDB] White crystalline powder
Appearance
White crystals
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.13
TPSA
29.1
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.57
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 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
