5-Chloro-2,3-dimethoxybenzaldehyde

HCID 4172275

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Basic information

CAS: 86232-28-2
Standard SMILES: COc1cc(Cl)cc(C=O)c1OC
InChIKey: FIRVUYUWCDJOMJ-UHFFFAOYSA-N
Molecular formula: C9H9ClO3
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.02402183

Names & identifiers

Preferred name: 5-Chloro-2,3-dimethoxybenzaldehyde
IUPAC: 5-chloro-2,3-dimethoxybenzaldehyde
English name: 5-Chloro-2 3-dimethoxybenzaldehyde
Molecular formula: C9H9ClO3
Molecular weight: 200.62

Names & synonyms

5-Chloro-2,3-dimethoxybenzaldehyde86232-28-2DTXSID20400245RefChem:302281DTXCID60351101624-849-75-Chloro-2,3-dimethoxy-benzaldehydeMFCD01743107Benzaldehyde, 5-chloro-2,3-dimethoxy-dimethoxy-5-chlorobenzaldehydeSCHEMBL1748175FIRVUYUWCDJOMJ-UHFFFAOYSA-N

Show more names

5-CHLORO-2 3-DIMETHOXYBENZALDEHYDE 95-CHLORO-2 3-DIMETHOXYBENZALDEHYDE 975-chloro-2,3-dimethoxybenzenemethylaldehyde5-chloro-2,3-dimethoxybenzaldehyde(SALTDATA: FREE)

BBL029461SBB003540STL377304AKOS000302251AS-37233SY0796915-Chloro-2,3-dimethoxybenzaldehyde, 97%DB-028260

Database identifiers

CAS: 86232-28-2
PubChem CID: 4172275
DTXSID: DTXSID20400245
EC Number: 624-849-7

Properties

Computed structural properties

XLogP: 2
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: 174

Physicochemical properties

Melting point: 96 · 96-100 °C (lit.)
Boiling point: 297.1 · 297.1±35.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
InChI: InChI=1S/C9H9ClO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKey: FIRVUYUWCDJOMJ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(Cl)=CC(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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.