Veratroyl chloride (HCID 77070)

Names & identifiers

Preferred name: Veratroyl chloride
IUPAC: 3,4-dimethoxybenzoyl chloride
English name: 3,4-Dimethoxybenzoyl chloride
Molecular formula: C9H9ClO3
Molecular weight: 200.62

Names & synonyms

3,4-Dimethoxybenzoyl chloride3535-37-3Veratroyl chlorideEINECS 222-568-0DTXSID30188840RefChem:901794DTXCID90111331222-568-03,4-Dimethoxybenzoylchloride3,4-dimethoxybenzene-1-carbonyl chlorideBenzoyl chloride, 3,4-dimethoxy-D6WDP6K3S2

Show more names

SKL1304BUTTPARK 94\04-06Etopride Impurity 6Itopride Impurity 111-(4-methoxyphenyl)-2-propanol3,4-DimethoxybenzoylChloride>Benzoyl chloride, 3,4-dimethoxy-3,4-Dimethoxybenzoic acid chloride

MFCD000006743,4-dimethyoxybenzoyl chlorideSTR047163,4-Dimethoxy-1-benzenecarbonyl chlorideVeratroylchloridUNII-D6WDP6K3S2A822745SCHEMBL184025

Database identifiers

CAS: 3535-37-3
PubChem CID: 77070
DTXSID: DTXSID30188840
UNII: D6WDP6K3S2
EC Number: 222-568-0
Nikkaji: J216.180J

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: 70 · 70-73 °C (lit.)
Boiling point: 95 · 95-98°C 1mm
Density: 1.2799 · 1.2799 (rough estimate)
refractive index: 1.523 · 1.5230 (estimate)
Flash point: 95 · 95-98°C/1mm
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Toluene
form: Crystals, Flakes or Chunks
color: Off-white to gray
Sensitive: Moisture Sensitive
BRN: 783596 · 783596
Stability: Moisture Sensitive
InChI: InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey: VIOBGCWEHLRBEP-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=C(OC)C(OC)=C1
CAS DataBase Reference: 3535 · 3535-37-3(CAS DataBase Reference)
FDA UNII: 6 WDP6K3S2 · D6WDP6K3S2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29222990 · 29222990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29222990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses3,4-Dimethoxybenzoyl Chloride is a benzoyl chloride derivative used in the preparation of a variety of biologically active compounds such as bronchodilators

Uses3,4-Dimethoxybenzoyl chloride has been used in synthesis of:(+)-5-(3,4-dimethoxyphenyl)-4-[[N-[(4S)-2-oxo-4-(phenylmethyl)-2-oxazolidinyl]]carbonyl] oxazole and its enantiomerN-(2,5-dibromophenyl)-3,4-dimethoxybenzamide