Chloromethyl acetate

3-chloropropanoate · SKL404 · CHLOROMETHYL ACETATE · CHLOROMETHANOLACETATE · chloromethyl ethanoate · Acetic acid chloromethyl · Methanol, chloro-, acetate · Methanol, 1-chloro-,1-acetate

https://huagongshe.com/en/chemical/69366

Chloromethyl acetate molecular structure

Identifiers & Physical Properties

CAS No.	625-56-9
Molecular formula	C3H5ClO2
Average molar mass	108.52 g/mol
Monoisotopic mass	107.99780708 g/mol
SMILES	CC(=O)OCCl
InChIKey	SMJYMSAPPGLBAR-UHFFFAOYSA-N
PubChem CID	69366
EC No.	210-902-8
DTXSID	DTXSID10211544

Chemical & Physical Properties

XLogP	0.8
Topological polar surface area	26.3
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	2
Heavy atoms	6
Formal charge	0
Complexity	52.8
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
Boiling point	122.85°C (rough estimate)
Density	1.1940
Refractive index	1.4090 (estimate)
Storage conditions	under inert gas (nitrogen or Argon) at 2-8°C
Solubility	Chloroform, DMSO, Ethyl Acetate
Physical state	Oil
Color	Clear Colourless
Stability	Hygroscopic
NIST Chemistry Reference	Methanol, chloro-, acetate(625-56-9)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H315-H319-H332-H335
GHS precautionary statements	P261-P280-P305+P351+P338
Risk statements (R)	41
Safety statements (S)	26-39
UN transport number	UN 2811 6.1 / PGIII

Safety & Regulations

GHS classification	DangerH301 (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 Classes and Categories	Acute Tox. 3 (95.3%)
UN transport number	UN 2811 6.1 / PGIII
Risk statements (R)	41
Signal word	Warning
GHS pictogram	GHS07
Safety statements (S)	26-39
GHS hazard statements	H302-H315-H319-H332-H335
GHS precautionary statements	P261-P280-P305+P351+P338

Applications & Uses

Uses

Chloromethyl 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.