1-Bromo-3-methoxy-5-methylbenzene
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Basic information
- CAS
29578-83-4- Standard SMILES
COc1cc(C)cc(Br)c1- InChIKey
AOEVRCZZWJWKPG-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98367701
Names & identifiers
- Preferred name
- 1-Bromo-3-methoxy-5-methylbenzene
- IUPAC
- 1-bromo-3-methoxy-5-methylbenzene
- English name
- 1-Bromo-3-methoxy-5-methylbenzene
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
1-BROMO-3-METHOXY-5-METHYLBENZENE29578-83-4DTXSID40443391RefChem:228512DTXCID80394212676-359-83-Bromo-5-methylanisole3-Bromo-5-methoxytolueneBenzene, 1-bromo-3-methoxy-5-methyl-MFCD080619165-BROMO-3-METHOXYTOLUENE1-bromo-3-methoxy-5-methyl-benzene
Show more names
3-Bromo-5-methoxytoluene >3-Methyl-5-methoxyphenyl bromide1-Bromo-5-methoxy-3-methylbenzene1-BROMO-3-METHOXY-5-METHYLBENZENE ISO 9001：2015 REACH1-Bromo-3-methoxy-5-methylbenzene 3-bromo-5-methoxytoluene
3-methoxy-5-bromotolueneSCHEMBL3880603-Methoxy-5-methylbromobenzeneSCHEMBL1636132SCHEMBL3397500SCHEMBL29427076AOEVRCZZWJWKPG-UHFFFAOYSA-NCL8953
Database identifiers
- CAS
29578-83-4- PubChem CID
- 10679554
- DTXSID
DTXSID40443391- EC Number
- 676-359-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 52 ℃ · 52℃
- Boiling point
- 228 ℃ · 228℃
- Density
- 1.378 · 1.378
- refractive index
- 1.556 · 1.5560-1.5600
- Flash point
- 103 ℃ · 103℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Chloroform
- form
- clear liquid
- color
- Colorless to Light yellow to Red
- InChI
- InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3
- InChIKey
- AOEVRCZZWJWKPG-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(C)=CC(OC)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2909309090 · 2909309090
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
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909309090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
20 records
Compound notes
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