2,4-Dimethoxybenzoyl chloride (HCID 2734719)

Names & identifiers

Preferred name: 2,4-Dimethoxybenzoyl chloride
IUPAC: 2,4-dimethoxybenzoyl chloride
English name: 2,4-DIMETHOXYBENZOYL CHLORIDE
Molecular formula: C9H9ClO3
Molecular weight: 200.62

Names & synonyms

2,4-Dimethoxybenzoyl chloride39828-35-8DTXSID50370462RefChem:246527DTXCID30321497628-203-5MFCD000175272,4-DimethoxybenzoylchlorideSCHEMBL2206812,4-dimethoxy benzoyl chlorideAKOS0091591292,4-dimethoxy-1-benzenecarbonyl chloride

Show more names

Benzoyl chloride, 2,4-dimethoxy-2,4-Dimethoxybenzoyl chloride,98%2,4-dimethyloxybenzeneformylchloro2,4-Dimethoxybenzoyl chloride, 97+%2,4-DIMETHOXYBENZOYL CHLORIDE, TECH.Benzoyl chloride, 2,4-dimethoxy- (9CI)2,4-Dimethoxybenzoyl chloride technical grade

SY3582792,4-Dimethoxybenzoyl chloride, technical grade9N-827E85442FT-0639581DTXSID503702, 4-dimethoxybenzoyl chloride2,4-dimethoxy-benzoyl chloride

Database identifiers

CAS: 39828-35-8
PubChem CID: 2734719
DTXSID: DTXSID50370462
EC Number: 628-203-5
Nikkaji: J1.035.949J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 58 · 58-60 °C (lit.)
Boiling point: 306.7 · 306.7±22.0 °C(Predicted)
Density: 1.224 · 1.224
storage temp.: 2 · 2-8°C
Sensitive: Moisture Sensitive
InChI: 1S/C9H9ClO3/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
InChIKey: KVIUXRJCBBXEGJ-UHFFFAOYSA-N
SMILES: COc1ccc(C(Cl)=O)c(OC)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318-H314
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
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 44 reports by companies from 3 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: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29189990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H318-H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 3 items

UsesGrowth regulator and fruit thinner for plums and prunes.

Uses2,4-Dimethoxybenzoyl chloride may be used as starting reagent in the synthesis of coumestrol. It may be used in the synthesis of chromenoflavone, cycloartocarpesin trimethyl ether.

General Description2,4-Dimethoxybenzoyl chloride is a benzoyl chloride derivative.