Chloromethyl acetate
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Basic information
- CAS
625-56-9- 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 propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
47 records
Compound notes
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