[email protected]
CAS 1794-86-1 dichloroformoxine molecular structure lightbox
CAS RN: 1794-86-1

dichloroformoxine

  • Product code: SSC-079920
GET A QUOTE
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
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1794-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1794-86-1 / N-(dichloromethylidene)hydroxylamine

Standard CAS: 1794-86-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1794-86-1
Multi CAS
No
Molecular Formula
CHCl2NO
Molecular Weight
113.930000
Exact Mass
112.943519
SMILES
C(=NO)(Cl)Cl
InChI
InChI=1S/CHCl2NO/c2-1(3)4-5/h5H
InChIKey
JIRJHEXNDQBKRZ-UHFFFAOYSA-N

Physical Properties

Melting Point
39-40 °C
Boiling Point
128 °C at 760 mm Hg Boiling point: 53-54 °C at 24 mm Hg. Decomposes slowly at ambient temperatures.
Physical Description
Phosgene oxime appears as a chemical warfare blister agent. Colorless liquid, odorless to fruity. Colorless, crystalline solid or liquid with an "intense, irritating" odor; Colorless, crystalline solid or yellowish-brown liquid.
Appearance
Colorless prismatic crystals Colorless solid or yellowish-brown liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
20.93
TPSA
32.59

LogP / Solubility

WLOGP
1.21
MLOGP
1.05
XLogP3
2.1
Consensus LogP
1.45
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.56

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501
DOT ID (UN/NA Number)
2811

Customers Also Viewed

Get In Touch

Contact Us