CAS 5402-53-9 Chloromethyl propionate (HCID 221144)

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Basic information

CAS: 5402-53-9
Standard SMILES: CCC(=O)OCCl
InChIKey: BTBBPNVBJSIADI-UHFFFAOYSA-N
Molecular formula: C4H7ClO2
Average molar mass: 122.55 g/mol
Monoisotopic mass: 122.01345714

Names & identifiers

Preferred name: Chloromethyl propionate
IUPAC: chloromethyl propanoate
English name: Methanol, 1-chloro-,1-propanoate
Molecular formula: C4H7ClO2
Molecular weight: 122.55

Names & synonyms

Chloromethyl propionateRefChem:575897816-443-5Chloromethyl propanoate5402-53-9chloromethylpropionatechloromethyl propanateChloromethyl propionate #propionyloxymethyl chlorideSCHEMBL230663SCHEMBL515502SCHEMBL11320558

Show more names

chloromethylpropanoatechloromethyl proprionateMethanol, 1-chloro-,1-propanoate

DTXSID30968846NSC5134NSC-5134MFCD19231959AKOS006383595SY222732EN300-370697

Database identifiers

CAS: 5402-53-9
PubChem CID: 221144
DTXSID: DTXSID30968846
EC Number: 816-443-5
Nikkaji: J1.827.503A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 62.7

Physicochemical properties

Boiling point: 128 · 128-130 °C(Press: 740 Torr)
Density: 1.1824 g/cm3 · 1.1824 g/cm3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.