2-Bromo-3,4,5-trimethoxybenzaldehyde

HCID 778003

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Basic information

CAS: 35274-53-4
Standard SMILES: COc1cc(C=O)c(Br)c(OC)c1OC
InChIKey: LADPQZFHJVANIP-UHFFFAOYSA-N
Molecular formula: C10H11BrO4
Average molar mass: 275.1 g/mol

Names & identifiers

Preferred name: 2-Bromo-3,4,5-trimethoxybenzaldehyde
IUPAC: 2-bromo-3,4,5-trimethoxybenzaldehyde
English name: 2-BROMO-3,4,5-TRIMETHOXY-BENZALDEHYDE
Molecular formula: C10H11BrO4
Molecular weight: 275.1

Names & synonyms

2-Bromo-3,4,5-trimethoxybenzaldehyde35274-53-42-BROMO-3,4,5-TRIMETHOXY-BENZALDEHYDEMFCD02104429benzaldehyde, 2-bromo-3,4,5-trimethoxy-3,4,5-trimethoxy-2-bromobenzaldehydeCBMicro_022182Cambridge id 6370287SCHEMBL2743635SCHEMBL5804122LADPQZFHJVANIP-UHFFFAOYSA-N2-Bromo-345-trimethoxybenzaldehyde

Show more names

CCG-14968STK003948AKOS001739277AS-63310SY126440BIM-0022390.P001DB-2938322-bromo-3,4,5-trimethoxy-benzaldehyde 97%

Database identifiers

CAS: 35274-53-4
PubChem CID: 778003
EC Number: 803-599-4
Nikkaji: J1.252.764K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 67 · 67-73°C
Boiling point: 345.5 · 345.5±37.0 °C(Predicted)
Density: 1.453 · 1.453±0.06 g/cm3(Predicted)
form: solid
InChI: 1S/C10H11BrO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4-5H,1-3H3
InChIKey: LADPQZFHJVANIP-UHFFFAOYSA-N
SMILES: COc1cc(C=O)c(Br)c(OC)c1OC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.