CAS 1738-36-9 Methoxyacetonitrile (HCID 74442)

Overview

Methoxyacetonitrile is an aliphatic nitrile that is acetonitrile in which one of the methyl hydrogens is substituted by a methoxy group. It has a role as a polar solvent. It is an ether and an aliphatic nitrile.

Names & identifiers

Preferred name: Methoxyacetonitrile
IUPAC: 2-methoxyacetonitrile
English name: Methoxyacetonitrile
Molecular formula: C3H5NO
Molecular weight: 71.08

Names & synonyms

Methoxyacetonitrile1738-36-9Acetonitrile, methoxy-Acetonitrile, 2-methoxy-NCCH2OCH3EINECS 217-092-5NSC 26905DTXSID2061937RefChem:157060DTXCID9035549217-092-5InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H

Show more names

methoxy-acetonitrilMethoxy acetonitirleAcetonitrile,methoxy-2-methoxyethanenitrileMethoxyacetonitrile>Acetonitrile, methoxy-

QKPVEISEHYYHRH-UHFFFAOYSA-N2-methoxyacetonitrileMFCD00001892methoxyethanenitrileNSC26905methoxymethyl cyanide2-methoxy acetonitrile2-methoxy-acetonitrile

Database identifiers

CAS: 1738-36-9
PubChem CID: 74442
DTXSID: DTXSID2061937
ChEBI: CHEBI:234492
EC Number: 217-092-5
Nikkaji: J148.020K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 51.2

Experimental & physicochemical properties

SpringerMaterials PropertiesMolecular structure

Physicochemical properties

Melting point: 97 °C · 97 °C
Boiling point: 118 · 118-119 °C/731 mmHg (lit.)
Density: 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.381(lit.)
Flash point: 89 °F · 89 °F
storage temp.: 2 · 2-8°C
Water Solubility: Insoluble in water
solubility: soluble in Chloroform, Ethyl Acetate
form: Liquid
color: Clear colorless to yellow
BRN: 1738014 · 1738014
InChI: 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
SMILES: COCC#N
CAS DataBase Reference: 1738 · 1738-36-9(CAS DataBase Reference)
NIST Chemistry Reference: Methoxyacetonitrile(1738-36-9)
EPA Substance Registry System: Acetonitrile, methoxy- (1738-36-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302+H312+H332
Precautionary statements: 210 · P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 10 · 10-20/21/22
Safety Statements: 14 · 14-36/37
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationMethoxyacetonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29269090
risk_code: 10-20/21/22
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xn,Xi
safety_code: 14-36/37
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H302+H312+H332
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
Precautionary statements: P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetonitrile, 2-methoxy-: INACTIVE

Applications

Uses2-Methoxyacetonitrile, is used as a building block in various chemical synthesis. It can be used for the synthesis of substituted isoquinolines and biisoquinolines for use in the construction of heterocyclic compounds.