Basic information
- CAS
623-24-5- Standard SMILES
BrCc1ccc(CBr)cc1- InChIKey
RBZMSGOBSOCYHR-UHFFFAOYSA-N- Molecular formula
- C8H8Br2
- Average molar mass
- 263.96 g/mol
- Monoisotopic mass
- 261.89927446
Names & identifiers
- Preferred name
- 1,4-Bis(bromomethyl)benzene
- IUPAC
- 1,4-bis(bromomethyl)benzene
- English name
- alpha,alpha'-Dibromo-p-xylene
- Molecular formula
- C8H8Br2
- Molecular weight
- 263.96
Names & synonyms
1,4-Bis(bromomethyl)benzene623-24-5Benzene, 1,4-bis(bromomethyl)-p-Xylylene bromide1,4-di(bromomethyl)benzeneCCRIS 1775EINECS 210-781-1p-.alpha.,.alpha.'-DibromoxyleneDTXSID6060767Benzene, 1,4-bis[bromomethyl]-RefChem:73137p-alpha,alpha'-Dibromoxylene
Show more names
α,α′-Dibromo-p-xylene1,4-bis(bromomethyl)-benzenP-XYLENE DIBROMIDENSC 6226O-dibroMo-benzylAKOS BBS-00000840α,α'-Dibromo-p-xyL
DTXCID2043298RBZMSGOBSOCYHR-UHFFFAOYSA-Np-Xylylene dibromidealpha,alpha'-Dibromo-p-xylenep-Bis(bromomethyl)benzenep-(Bromomethyl)benzene1,4-Dibromomethylbenzene1,4-Bis-bromomethyl-benzene
Database identifiers
- CAS
623-24-5- PubChem CID
- 69335
- DTXSID
DTXSID6060767- EC Number
- 210-781-1
- Nikkaji
- J31.712H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 143 · 143-145 °C(lit.)
- Boiling point
- 245 °C · 245 °C(lit.)
- Density
- 2.012 · 2.012
- refractive index
- 1.614 · 1.614
- Flash point
- 155 · 155-158°C/14mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 1 g/10 · dioxane: soluble1g/10 mL (hot)
- form
- Crystalline Powder and Coarse Crystals
- color
- White to beige
- Water Solubility
- soluble, hydrolyses
- Sensitive
- Lachrymatory
- BRN
- 1100019 · 1100019
- InChI
- 1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
- InChIKey
- RBZMSGOBSOCYHR-UHFFFAOYSA-N
- SMILES
- BrCc1ccc(CBr)cc1
- CAS DataBase Reference
- 623 · 623-24-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1,4-bis(bromomethyl)-(623-24-5)
- EPA Substance Registry System
- 1 · 1,4-Bis(bromomethyl)benzene (623-24-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34-22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3448 · UN 3448 6.1/PG 2
- WGK Germany
- 3 · 3
- F
- 8 · 8-19-21
- Hazard Note
- Corrosive/Lachrymatory
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (97.9%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 8-19-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3448 6.1/PG 2
- hs_code
- 29039990
- risk_code
- 34-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-bis(bromomethyl)-: ACTIVE
Applications
UsesIt is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
90 records
Compound notes
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