CAS 6191-99-7 3-Ethoxy-2-propenoyl chloride (HCID 3014429)

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Basic information

CAS: 6191-99-7
Standard SMILES: CCOC=CC(=O)Cl
InChIKey: SFMFACMIOWQIPR-UHFFFAOYSA-N
Molecular formula: C5H7ClO2
Average molar mass: 134.56 g/mol
Monoisotopic mass: 134.01345714

Names & identifiers

Preferred name: 3-Ethoxy-2-propenoyl chloride
IUPAC: 3-ethoxyprop-2-enoyl chloride
English name: 3-Ethoxyacryloyl chloride
Molecular formula: C5H7ClO2
Molecular weight: 134.56

Names & synonyms

3-ethoxy-2-propenoyl chlorideDTXSID801308257RefChem:501149DTXCID3017381683-ethoxyprop-2-enoyl chloride3-Ethoxy-acryloyl chloridebeta-ethoxyacrylic chloridebeta-ethoxyacrylic acid chloridebeta-ethoxyacrylyl chloride3-ethoxy-acryloyl-chlorideSCHEMBL946623-Ethoxyacrylic acid chloride

Show more names

88.0%3-EthoxyacryLEthoxyacryloylchloride3-Oxopropenoylchlorideb-Ethoxyacrylic chloride3-ETHOXYACRYLOYL CHLORIDE3-Ethoxyacryloyl Chloride >(2E)-3-Ethoxyacryloyl chloride

SFMFACMIOWQIPR-UHFFFAOYSA-NAKOS028109963DB-050531

Database identifiers

CAS: 6191-99-7
PubChem CID: 3014429
DTXSID: DTXSID801308257

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 98.6

Physicochemical properties

Boiling point: 75 °C/10mmHg · 75°C/10mmHg(lit.)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
refractive index: 1.486 to · 1.4860 to 1.4910
Flash point: 25 °C · 25 °C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light orange to Yellow
InChI: InChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3
InChIKey: SFMFACMIOWQIPR-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C=COCC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 226 · H226-H302-H314-H317-H334
Precautionary statements: 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN2920 8/PG 2
hs_code: 2909500090
risk_code: 10-22-34-42/43
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07,GHS08
hazard_code: C
safety_code: 23-24-26-36/37/39-45
hazard_class: 8/3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-H302-H314-H317-H334
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Precautionary statements: P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338