CAS 628-12-6 2-Methoxyethyl chloroformate (HCID 69400)

Names & identifiers

Preferred name: 2-Methoxyethyl chloroformate
IUPAC: 2-methoxyethyl carbonochloridate
English name: 2-Methoxyethyl chloroformate
Molecular formula: C4H7ClO3
Molecular weight: 138.55

Names & synonyms

2-Methoxyethyl chloroformate628-12-6EINECS 211-026-9NDYYWMXJZWHRLZ-UHFFFAOYSA-DTXSID90211880RefChem:474648DTXCID20134371211-026-9InChI=1/C4H7ClO3/c1-7-2-3-8-4(5)6/h2-3H2,1H32-methoxyethyl carbonochloridateChloroformic Acid 2-Methoxyethyl EsterCarbonochloridic acid, 2-methoxyethyl ester

Show more names

80.0%(GC&Methoxyethyl ChloroformateEthyl 2-methoxychloroformate2-Methoxyethyl Chloroformate >(Chloro)(2-methoxyethoxy)methanone2-Methoxyethyl chloroformate, tech. 85%

MFCD000589322-Methoxyethylcarbonochloridatechlorocarbonic acid 2-methoxy-ethyl ester2-methoxyethylchloroformate(2-Methoxyethoxy)carbonyl chloride(Chloro)(2-methoxyethoxy)methanonemethoxyethyl chloroformateBND5936MRB

Database identifiers

CAS: 628-12-6
PubChem CID: 69400
DTXSID: DTXSID90211880
UNII: BND5936MRB
EC Number: 211-026-9
Nikkaji: J150.176C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 73.7

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 157 · 157-158 °C(lit.)
Density: 1.192 g/mL · 1.192 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4200(lit.)
Flash point: 138 °F · 138 °F
storage temp.: 2 · 2-8°C
solubility: Soluble in most organic solvents.
form: clear liquid
color: Colorless to Light yellow
Sensitive: Moisture Sensitive
InChI: 1S/C4H7ClO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3
InChIKey: NDYYWMXJZWHRLZ-UHFFFAOYSA-N
SMILES: COCCOC(Cl)=O
CAS DataBase Reference: 628 · 628-12-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
HS Code: 2918.99 · 2918.99.5000
HazardClass: 6.1 · 6.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P210, P233, P240, P241, P242, P243, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Toxic by inhalation; [Alfa Aesar MSDS] See n-Propyl chloroformate.

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2920 8/PG 2
hs_code: 2918.99.5000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesReactant for:• ;Preparation of N-bridged bicyclic sulfonamides as inhibitors of γ-secretase1• ;Preparation of dimethoxyethyl azodicarboxylate via amidation/oxidation and application to Mitsunobu reaction2• ;Regioselective, stereoselective, and kinetically-controlled nickel-catalyzed cyanoesterification of allenes chloroformates and TMSCN3• ;Preparation of amino carboxamidobenzothiazoles as Lck inhibitors4• ;Preparation of nonracemic spirooxindoles using a stereoselective three-component coupling reaction as the key step and using acylation reactions to add st

Uses2-methoxyethyl chloroformate was used to produce di-2-dimethoxyethyl hydrazine carboxylate(alternative reagent for the mitsunobu reaction).