2-Bromobenzyl bromide
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Basic information
- CAS
3433-80-5- Standard SMILES
BrCc1ccccc1Br- InChIKey
LZSYGJNFCREHMD-UHFFFAOYSA-N- Molecular formula
- C7H6Br2
- Average molar mass
- 249.93 g/mol
- Monoisotopic mass
- 247.88362439
Names & identifiers
- Preferred name
- 2-Bromobenzyl bromide
- IUPAC
- 1-bromo-2-(bromomethyl)benzene
- English name
- 2-Bromobenzyl bromide
- Molecular formula
- C7H6Br2
- Molecular weight
- 249.93
Names & synonyms
2-Bromobenzyl bromide3433-80-5o-Bromobenzyl bromideBenzene, 1-bromo-2-(bromomethyl)-EINECS 222-334-8DTXSID0063022alpha2DibromotolueneoBromobenzyl bromideRefChem:467215Benzene, 1bromo2(bromomethyl)DTXCID10388241-Bromo-2-(bromomethyl)benzene
Show more names
,2-Dibromotolueneà,2-dibromotolueneα,o-Dibromotoluenemethyl brombromideALPHA,O-DIBROMOTOLUENE
2-bromobenzylbromidealpha,2-DibromotolueneMFCD00000173Benzene, bromo(bromomethyl)-alpha-2-Dibromotoluene1-bromo-2-bromomethylbenzene1-(bromomethyl)-2-bromobenzenea,o-dibromotoluene
Database identifiers
- CAS
3433-80-5- PubChem CID
- 76965
- DTXSID
DTXSID0063022- EC Number
- 222-334-8
- Nikkaji
- J31.706C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionWhite to light yellow solid; mp = 29-32 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 29 · 29-32 °C (lit.)
- Boiling point
- 129 °C/19 · 129 °C/19 mmHg (lit.)
- Density
- 1.8246 · 1.8246 (rough estimate)
- refractive index
- 20 · n20/D 1.619(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 1 g/10 · dioxane: soluble1g/10 mL, clear, colorless
- form
- Liquid After Melting
- color
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information2-Bromobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 8-19
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29036990
- risk_code
- 34-37-23
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-2-(bromomethyl)-: INACTIVE
Applications
Uses2-Bromobenzyl bromide was used in the synthesis of substituted quinazolines and 1,2,3,4-tetrahydroquinazolines, 2- and 3-substituted indenes, tris-2-bromotribenzylamine3.
Uses2-Bromobenzyl bromide was used in the synthesis of:substituted quinazolines and 1,2,3,4-tetrahydroquinazolines2- and 3-substituted indenestris-2-bromotribenzylamine
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
241 records
Compound notes
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