Basic information
- CAS
5025-53-6- Standard SMILES
Cc1cc2c(cc1Br)OCO2- InChIKey
COXSGYIDZGDCAR-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 213.96294
Names & identifiers
- Preferred name
- 5-Bromo-6-methyl-1,3-benzodioxole
- IUPAC
- 5-bromo-6-methyl-1,3-benzodioxole
- English name
- 5-bromo-6-methyl-1,3-benzodioxole
- Molecular formula
- C8H7BrO2
- Molecular weight
- 215.04
Names & synonyms
5025-53-65-Bromo-6-methyl-1,3-benzodioxoleEINECS 225-712-0DTXSID60198250RefChem:102182DTXCID90120741225-712-05-bromo-6-methylbenzo[d][1,3]dioxole5-bromo-6-methyl-1,3-dioxaindane5-BROMO-6-METHYL-2H-1,3-BENZODIOXOLEMFCD00016643SCHEMBL4594563
Show more names
1,3-Benzodioxole, 5-bromo-6-methyl-
SCHEMBL98717312-Brom-4,5-methylendioxytoluolFAA025532-bromo-4,5-(methylenedioxy)toluene5-bromo-6-methyl-benzo[1,3]dioxoleAKOS023833300NS00032021EN300-192560
Database identifiers
- CAS
5025-53-6- PubChem CID
- 78728
- DTXSID
DTXSID60198250- EC Number
- 225-712-0
- Nikkaji
- J203.255D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 37 · 37-38 °C
- Boiling point
- 258.5 · 258.5±39.0 °C(Predicted)
- Density
- 1.615 · 1.615±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
宁波台康化工有限公司0574-87365517 18074210286 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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