(3,4-Dimethoxyphenyl)acetyl chloride

HCID 3604458

Notes Reactions

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Basic information

CAS: 10313-60-7
Standard SMILES: COc1ccc(CC(=O)Cl)cc1OC
InChIKey: QBJIMTPENIGDOG-UHFFFAOYSA-N
Molecular formula: C10H11ClO3
Average molar mass: 214.64 g/mol
Monoisotopic mass: 214.0396719

Names & identifiers

Preferred name: (3,4-Dimethoxyphenyl)acetyl chloride
IUPAC: 2-(3,4-dimethoxyphenyl)acetyl chloride
English name: HOMOVERATRYL CHLORIDE
Molecular formula: C10H11ClO3
Molecular weight: 214.65

Names & synonyms

(3,4-Dimethoxyphenyl)acetyl chloride10313-60-7DTXSID60394078RefChem:207384DTXCID20344938628-972-72-(3,4-dimethoxyphenyl)acetyl ChlorideMFCD000096743,4-dimethoxyphenylacetyl chlorideHomoveratroylchloridhomoveratric acid chlorideSCHEMBL76377

Show more names

HOMOVERATRYL CHLORIDEBenzeneacetyl chloride,3,4-dimethoxy-(3,4-Dimethoxyphenyl)acetyl chloride 98%

3,4-dimethoxyphenylacetylchlorideQBJIMTPENIGDOG-UHFFFAOYSA-N3,4-dimethoxyphenyl acetylchloride3,4-di-methoxyphenylacetyl chloride3,4-dimethoxyphenyl acetyl chlorideSTR04364(3,4-Dimethoxyphenyl)acetylchloride3,4-Dimethoxy-phenylacetyl chloride

Database identifiers

CAS: 10313-60-7
PubChem CID: 3604458
DTXSID: DTXSID60394078
EC Number: 628-972-7
Nikkaji: J1.480.133B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 40 · 40-43 °C (lit.)
Boiling point: 118 · 118-119 °C/0.2 mmHg (lit.)
Density: 1.245 g/mL · 1.245 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5489(lit.)
Flash point: 230 °F · >230 °F
form: solid
BRN: 396343 · 396343
InChI: 1S/C10H11ClO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3
InChIKey: QBJIMTPENIGDOG-UHFFFAOYSA-N
SMILES: COc1ccc(CC(Cl)=O)cc1OC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3

Safety & regulation

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

Uses2-(3,4-Dimethoxyphenyl)acetyl chloride is used as a reactant in the cycloaddition reaction with tetramethoxyethylene in the preparation of novel unsymmetrical squaraines.

Uses(3,4-Dimethoxyphenyl)acetyl chloride (Homoveratryl chloride) has been used in the preparation of:homo veratryl nitrile (HVN)isomeric naphthalene sulphonyl compounds, 1- and 2-[{2-(3,4-dimethoxyphenyl)ethyl}methylamino] sulphonyl naphthalenes