Ethyl acetimidate

HCID 65066
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1000-84-6
Standard SMILES
CCOC(C)=N
InChIKey
JMIAPORGEDIDLT-UHFFFAOYSA-N
Molecular formula
C4H9NO
Average molar mass
87.12 g/mol
Monoisotopic mass
87.06841391

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name
Ethyl acetimidate
IUPAC
ethyl ethanimidate
English name
ethyl acetimidate
Molecular formula
C4H9NO
Molecular weight
87.12

Names & synonyms

Ethyl acetimidate1000-84-6Ethanimidic acid, ethyl ester1-Ethoxyethanimineethylacetimidate5CAT8M2NGJDTXSID4061381RefChem:138866DTXCID8032469213-676-9ethyl ethanimidateEthyl ethanimidoate
Show more names
ethanimidoate
MFCD00297109ethyl ethaneimidateEthanimidic acid, ethylesterEhtyl acetimidateethyl acetoimidateo-ethyl acetimidateEINECS 213-676-9O-Ethyl ethanimidate

Database identifiers

CAS
1000-84-6
PubChem CID
65066
DTXSID
DTXSID4061381
UNII
5CAT8M2NGJ
EC Number
213-676-9
Nikkaji
J217.102C

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
92 · 92-95 °C
Density
0.872 g/cm3 · 0.872 g/cm3(Temp: 23 °C)
pka
8.35 · 8.35±0.70(Predicted)
EPA Substance Registry System
Ethanimidic acid, ethyl ester (1000-84-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H315-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

General Manufacturing InformationEthanimidic acid, ethyl ester: INACTIVE
Preparation methods · 1 item

PreparationTo a flask cooled to -5°C containing 61.5 gm (1.5 mole) of dry aceto-nitrile and 69.0 gm (1.5 mole) of anhydrous ethanol is added 532 gm (1.5 mole) of gaseous hydrogen chloride. The flask is stoppered and kept for 6 hr at 0°C and 4-5 days in the refrigerator. The resulting precipitate is filtered and washed with dry ether at 0°C. The salt is suspended in 500 ml of anhydrous ether and while stirring vigorously dry ammonia is passed into the suspension for 1.5 hr at -15°C. The resulting ammonium chloride is filtered and the ether solution is fractionally distilled to affect 60.0 gm (45.9%), b.p. 90°C, n24D 1.415, d23 0.872.

Upstream & downstream products

Suppliers8 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]

Related reactions

44 records
New reaction record

Compound notes

Loading…