Basic information
- CAS
13209-15-9- Standard SMILES
BrC(Br)c1ccccc1C(Br)Br- InChIKey
LNAOKZKISWEZNY-UHFFFAOYSA-N- Molecular formula
- C8H6Br4
- Average molar mass
- 421.75 g/mol
- Monoisotopic mass
- 417.7203
Names & identifiers
- Preferred name
- 1,2-Bis(dibromomethyl)benzene
- IUPAC
- 1,2-bis(dibromomethyl)benzene
- English name
- alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene
- Molecular formula
- C8H6Br4
- Molecular weight
- 421.75
Names & synonyms
1,2-Bis(dibromomethyl)benzene13209-15-9alpha,alpha,alpha',alpha'-Tetrabromo-o-xyleneBenzene, 1,2-bis(dibromomethyl)-EINECS 236-176-2UNII-3WG2H68VX4NSC 386073WG2H68VX4NSC-38607o-Xylene, alpha,alpha,alpha',alpha'-tetrabromo-DTXSID7022255o-Xylene, .alpha.,.alpha.,.alpha.',.alpha.'-tetrabromo-
Show more names
′-Tetrabromo-o<1,2-Bis(dibromomethyl)O-XYLYLENE TETRABROMIDEAAAATETRABROMOORTHOXYLENEa,a,a,a-Tertabromo-O-Xylene1,2-bis(dibromomethyl)-benzeà,à,à',à'-tetrabromo-o-xyleneA,A,A',A'-TETRABROMO-O-XYLENE
.alpha.,.alpha.,.beta.,.beta.-Tetrabromo-o-xylene.alpha.,.alpha.,.alpha.',.alpha.'-Tetrabromo-o-xylene.alpha.,.alpha.,.alpha.1,.alpha.1-Tetrabromo-o-xylenealpha,alpha,beta,beta-Tetrabromo-o-xyleneRefChem:71730a,a,a'a'Tetrabromooxylene1,2Bis(dibromomethyl)benzeneDTXCID102255
Database identifiers
- CAS
13209-15-9- PubChem CID
- 83234
- DTXSID
DTXSID7022255- UNII
- 3WG2H68VX4
- EC Number
- 236-176-2
- Nikkaji
- J31.710A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Physical DescriptionLight brown crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 114 · 114-116 °C(lit.)
- Boiling point
- 303.01 °C · 303.01°C (rough estimate)
- Density
- 2.2654 · 2.2654 (rough estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid or Low Melting Solid
- color
- Clear colorless to yellow
- Water Solubility
- Insoluble
- BRN
- 2211698 · 2211698
- InChI
- InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
- InChIKey
- LNAOKZKISWEZNY-UHFFFAOYSA-N
- SMILES
- C1(C(Br)Br)=CC=CC=C1C(Br)Br
- CAS DataBase Reference
- 13209 · 13209-15-9(CAS DataBase Reference)
- FDA UNII
- 3 WG2H68VX4 · 3WG2H68VX4
- EPA Substance Registry System
- 1 · 1,2-Bis(dibromomethyl)benzene (13209-15-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335-H400
- Precautionary statements
- 260 · P260-P271-P273-P280-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 19 · 19-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29039990 · 29039990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Eye · Aquatic Acute 1Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (84.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information1,2-Bis(dibromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (89.1%)；STOT SE 3 (93.5%)；Aquatic Acute 1 (84.8%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Regulatory information
Regulatory Information1,2-Bis(dibromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 19-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- risk_code
- 34-36/37-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H314-H335-H400
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Aquatic Acute 1Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P260-P271-P273-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2-bis(dibromomethyl)-: ACTIVE
Applications
Usesα,α,α',α'-Tetrabromo-o-xylene reacts with 5endo,6endo-bis-chlormethyl-norborn-2-en to obtain trans/cis-2,3-bis(chloromethyl)-1,4-methano-1,2,3,4-tetrahydroanthracene. Further, it is involved in the preparation of 1-(3-butenyl)-2-(deuteriomethyl)benzene by reacting with allylmagnesium bromide. In addition this, it is used to prepare exo-benzocyclobuteno-1,2,3,4-tetrahydro-1,4-methanoanthracene by reacting with exo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene.
Usesα,α,α′,α′-Tetrabromo-o-xylene can be employed as a precursor for the synthesis of: Poly(o-phenylene vinylene) (o-PPV) via electrochemical polymerization.A pentacene derivative by reacting with naphthalene moieties for the development of organic thin-film transistors (OTFTs).Bitopic pyrazole containing ligands.
Upstream & downstream products
Downstream products
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
7 records
Compound notes
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