1-Bromo-2-(bromomethyl)-4-methylbenzene
Basic information
- CAS
27561-50-8- Standard SMILES
Cc1ccc(Br)c(CBr)c1- InChIKey
TYXBGGJWMHKOGK-UHFFFAOYSA-N- Molecular formula
- C8H8Br2
- Average molar mass
- 263.96 g/mol
- Monoisotopic mass
- 261.89928
Names & identifiers
- Preferred name
- 1-Bromo-2-(bromomethyl)-4-methylbenzene
- IUPAC
- 1-bromo-2-(bromomethyl)-4-methylbenzene
- English name
- 1-bromo-2-(bromomethyl)-4-methylbenzene
- Molecular formula
- C8H8Br2
- Molecular weight
- 263.96
Names & synonyms
1-BROMO-2-(BROMOMETHYL)-4-METHYLBENZENE27561-50-8DTXSID80695155RefChem:228345DTXCID90645904Benzene, 1-bromo-2-(bromomethyl)-4-methyl-MFCD118471712-Bromo-5-methylbenzyl bromideSCHEMBL2291344SCHEMBL30806439TYXBGGJWMHKOGK-UHFFFAOYSA-NCBA56150
Show more names
AKOS016013924AS-65288SY3466671-bromo-2-(bromomethyl)-4-methyl-benzeneDB-116091D86064EN300-1912582F841660
Database identifiers
- CAS
27561-50-8- PubChem CID
- 53403264
- DTXSID
DTXSID80695155- EC Number
- 118-028-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 273.4 · 273.4±25.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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