Benzene, 1,3-dibromo-2-methoxy-

HCID 181584CAS 38603-09-7

Substructure search Find similar structures

Basic information

Standard SMILES: COc1c(Br)cccc1Br
InChIKey: BMZVDHQOAJUZJL-UHFFFAOYSA-N
Molecular formula: C7H6Br2O
Average molar mass: 265.93 g/mol
Monoisotopic mass: 263.87853901

Names & identifiers

Preferred name: Benzene, 1,3-dibromo-2-methoxy-
IUPAC: 1,3-dibromo-2-methoxybenzene
English name: 2,6-DIBROMOANISOLE
Molecular formula: C7H6Br2O
Molecular weight: 265.93

Names & synonyms

1,3-Dibromo-2-methoxybenzene38603-09-7Benzene, 1,3-dibromo-2-methoxy-DTXSID40191921RefChem:117295DTXCID80114412BMZVDHQOAJUZJL-UHFFFAOYSA-N2,6-DibromoanisoleMFCD000932702,6-dibromanisole13-dibromo-2-methoxybenzeneSCHEMBL231210

Show more names

2,6-Dibromoanisole,>97%2,6-Dibromo-1-methoxybenzeneBenzene,1,3-dibroMo-2-Methoxy-

SCHEMBL364729SCHEMBL4800082SCHEMBL279241851,3-Dibromo-2-methoxybenzene #CK2386AKOS008862328AC-11327AS-19862

Database identifiers

CAS: 38603-09-7
PubChem CID: 181584
DTXSID: DTXSID40191921
EC Number: 803-779-2
Nikkaji: J443.901E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP3.42

Physicochemical properties

Melting point: 13 °C · 13°C
Boiling point: 254 ℃ · 254℃
Density: 1.823 · 1.823
refractive index: 1.592 to · 1.5920 to 1.5960
Flash point: 100 ℃ · 100℃
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Henry's Law Constant: 3.7 · 3.7×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
InChI: InChI=1S/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKey: BMZVDHQOAJUZJL-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(Br)=C1OC
CAS DataBase Reference: 38603 · 38603-09-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2909303840 · 2909303840

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (95%)

Safety data

hs_code: 2909303840
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-Dibromoanisole is an anisole compound containing a substituent bromine atom that can be used in bromine substitution reactions to prepare other organic ether derivatives. It is also a Lusutrombopag intermediate, which is used to treat thrombocytopenia (low platelets in the blood) in adult patients with chronic liver disease who are scheduled to undergo medical or dental procedures.