4-Bromo-2,5-dimethoxytoluene
Basic information
- CAS
13321-74-9- Standard SMILES
COc1cc(Br)c(OC)cc1C- InChIKey
YDRBZEYUYXQONG-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2
- Average molar mass
- 231.09 g/mol
- Monoisotopic mass
- 229.99424
Names & identifiers
- Preferred name
- 4-Bromo-2,5-dimethoxytoluene
- IUPAC
- 1-bromo-2,5-dimethoxy-4-methylbenzene
- English name
- 4-Bromo-2,5-dimethoxytoluene
- Molecular formula
- C9H11BrO2
- Molecular weight
- 231.09
Names & synonyms
4-BROMO-2,5-DIMETHOXYTOLUENE13321-74-9DTXSID50349158RefChem:519130DTXCID60300230887-355-21-bromo-2,5-dimethoxy-4-methylbenzenebenzene, 1-bromo-2,5-dimethoxy-4-methyl-MFCD006669991-BROMO-2,5-DIMETHOXY-4-METHYL-BENZENEBenzene,1-bromo-2,5-dimethoxy-4-methyl-CDS1_000105
Show more names
Maybridge1_002393DivK1c_001145SCHEMBL12957756HMS548E174-Methyl-2,5-dimethoxybromobenzeneAKOS005145953PS-3035SY022069
Database identifiers
- CAS
13321-74-9- PubChem CID
- 643375
- DTXSID
DTXSID50349158- EC Number
- 887-355-2
- Nikkaji
- J681.244I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 77 · 77-78
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2909303890 · 2909303890
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
- 2909303890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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