Basic information
- 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 properties
- 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
- Clear colorless to yellow
- Water Solubility
- Insoluble in water.
- BRN
- 971015 · 971015
- InChI
- InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChIKey
- LZSYGJNFCREHMD-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=CC=C1CBr
- CAS DataBase Reference
- 3433 · 3433-80-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1-bromo-2-(bromomethyl)-(3433-80-5)
- EPA Substance Registry System
- 2 · 2-Bromobenzyl bromide (3433-80-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,T
- Risk Statements
- 34 · 34-37-23
- Safety Statements
- 26 · 26-36/37/39-45-22
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- F
- 8 · 8-19
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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)
- GHS05
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-22
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
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
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