Chloromethyl acetate

HCID 69366CAS 625-56-9

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)OCCl
InChIKey: SMJYMSAPPGLBAR-UHFFFAOYSA-N
Molecular formula: C3H5ClO2
Average molar mass: 108.52 g/mol
Monoisotopic mass: 107.99780708

Names & identifiers

Preferred name: Chloromethyl acetate
IUPAC: chloromethyl acetate
English name: Chloromethyl acetate
Molecular formula: C3H5ClO2
Molecular weight: 108.52

Names & synonyms

Chloromethyl acetate625-56-9Chloromethanol acetateEINECS 210-902-8DTXSID10211544RefChem:575886DTXCID40134035210-902-8Chloromethyl ethanoateacetic acid chloromethyl esterMethanol, chloro-, acetateMFCD00623643

Show more names

3-chloropropanoateSKL404CHLOROMETHANOLACETATEAcetic acid chloromethylMethanol, 1-chloro-,1-acetateChloromethyl acetate ISO 9001：2015 REACH

Chlormethylacetatchlormethyl acetateChloromethanol Acetate; (Acetyloxy)methyl Chloride; Acetic Acid Chloromethyl Ester Acetoxymethyl Chloride;Chloromethyl acetate #chloromethyl methylformateghl.PD_Mitscher_leg0.478SCHEMBL194595SCHEMBL515566

Database identifiers

CAS: 625-56-9
PubChem CID: 69366
DTXSID: DTXSID10211544
EC Number: 210-902-8
Nikkaji: J506A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 52.8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 122.85 °C · 122.85°C (rough estimate)
Density: 1.194 · 1.1940
refractive index: 1.409 · 1.4090 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, DMSO, Ethyl Acetate
form: Oil
color: Clear Colourless
Stability: Hygroscopic
NIST Chemistry Reference: Methanol, chloro-, acetate(625-56-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
RIDADR: 2811 · UN 2811 6.1 / PGIII

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (95.3%)

Safety data

ridadr: UN 2811 6.1 / PGIII
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-39
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

UsesChloromethyl Acetate is a chemical reagent used in the synthesis of Ganciclovir (G235000) and related analogs. Ganciclovir is used as an anti-viral medication used primarily to combat herpes simplex virus 1.