4-Chloro-1,2-dimethoxybenzene

HCID 28048CAS 16766-27-1

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Basic information

Standard SMILES: COc1ccc(Cl)cc1OC
InChIKey: RXJCXGJKJZARAW-UHFFFAOYSA-N
Molecular formula: C8H9ClO2
Average molar mass: 172.61 g/mol
Monoisotopic mass: 172.02910721

Names & identifiers

Preferred name: 4-Chloro-1,2-dimethoxybenzene
IUPAC: 4-chloro-1,2-dimethoxybenzene
English name: 4-chloro-1,2-dimethoxy-benzene
Molecular formula: C8H9ClO2
Molecular weight: 172.61

Names & synonyms

4-Chloro-1,2-dimethoxybenzene4-CHLOROVERATROLE1,2-Dimethoxy-4-chloro-benzeneDTXSID10168342Benzene, 4-chloro-1,2-dimethoxy4-Chloro-2-methoxyphenol, methyl etherRefChem:291260DTXCID0090833846-801-6RXJCXGJKJZARAW-UHFFFAOYSA-N16766-27-14-Chloro-1,2-dimethoxy-Benzene

Show more names

4-Chloroveratrol1-Chloro-3,4-dimethoxybenzene

MFCD01741851Benzene, 4-chloro-1,2-dimethoxy-3,4-dimethoxy chlorobenzeneSCHEMBL21272333,4-DimethoxychlorobenzeneBenzene,4-chloro-1,2-dimethoxy-SCHEMBL312106SCHEMBL4344793

Database identifiers

CAS: 16766-27-1
PubChem CID: 28048
DTXSID: DTXSID10168342
EC Number: 846-801-6
Nikkaji: J323.688I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 75 °C · 75 °C
Boiling point: 237 · 237-240 °C(Press: 739 Torr)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2909309090 · 2909309090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P