(2,5-Dimethoxyphenyl)acetyl chloride

HCID 596088

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Basic information

CAS: 52711-92-9
Standard SMILES: COc1ccc(OC)c(CC(=O)Cl)c1
InChIKey: RAPIPBRHRYSAHQ-UHFFFAOYSA-N
Molecular formula: C10H11ClO3
Average molar mass: 214.64 g/mol
Monoisotopic mass: 214.03967189

Names & identifiers

Preferred name: (2,5-Dimethoxyphenyl)acetyl chloride
IUPAC: 2-(2,5-dimethoxyphenyl)acetyl chloride
English name: (2,5-Dimethoxyphenyl)acetyl chloride
Molecular formula: C10H11ClO3
Molecular weight: 214.65

Names & synonyms

(2,5-Dimethoxyphenyl)acetyl chloride52711-92-9DTXSID90344344RefChem:394638DTXCID00295419626-500-42-(2,5-dimethoxyphenyl)acetyl chloride2,5-Dimethoxyphenylacetyl chlorideMFCD000120462,5-dimethoxyphenylacetic acid chlorideSCHEMBL892777SCHEMBL30660236

Show more names

o-Homoveratryl chlorideBenzeneacetyl chloride, 2,5-dimethoxy-(2,5-Dimethoxyphenyl)acetyl chloride,99%2,5-Dimethoxybenzeneacetic acid chloride(2,5-DiMethoxyphenyl)acetyl chloride, 99% 1GR

2,5-dimethoxyphenyl acetyl chloride(2,5-dimethoxy phenyl)acetyl chloride(2,5-dimethoxylphenyl)acetyl chloride2-(2,5-dimethoxyphenyl)acetylchlorideAKOS015913333(2,5-dimethoxy-phenyl)-acetyl chloride2,5-dimethoxy-phenylacetic acid chloride(2,5-Dimethoxyphenyl)acetyl chloride, 99%

Database identifiers

CAS: 52711-92-9
PubChem CID: 596088
DTXSID: DTXSID90344344
EC Number: 626-500-4
Nikkaji: J236.262G

Properties

Computed structural properties

XLogP: 2.3
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

Boiling point: 118 °C0.8 · 118 °C0.8 mm Hg(lit.)
Density: 1.227 g/mL · 1.227 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5385(lit.)
Flash point: 226 °F · 226 °F
storage temp.: room temp
form: liquid
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C10H11ClO3/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3
InChIKey: RAPIPBRHRYSAHQ-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(CC(Cl)=O)c1
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 23 · 23-26-27-28-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29189990 · 29189990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29189990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 23-26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405