Basic information
- CAS
27129-86-8- Standard SMILES
Cc1cc(C)cc(CBr)c1- InChIKey
QXDHXCVJGBTQMK-UHFFFAOYSA-N- Molecular formula
- C9H11Br
- Average molar mass
- 199.09 g/mol
- Monoisotopic mass
- 198.00441245
Names & identifiers
- Preferred name
- 3,5-Dimethylbenzyl bromide
- IUPAC
- 1-(bromomethyl)-3,5-dimethylbenzene
- English name
- 3,5-Dimethylbenzyl bromide
- Molecular formula
- C9H11Br
- Molecular weight
- 199.09
Names & synonyms
3,5-Dimethylbenzyl bromide1-(Bromomethyl)-3,5-dimethylbenzenealpha-BromomesityleneBenzene, 1-(bromomethyl)-3,5-dimethyl-.alpha.-BromomesityleneDTXSID70181592RefChem:91600DTXCID10104083663-901-3QXDHXCVJGBTQMK-UHFFFAOYSA-N27129-86-83,5-Dimethylbenzylbromide
Show more names
à-bromomesityleneTIMTEC-BB SBB0083105-BROMOMETHYL-M-XYLENE3,5-dimethylbromobenzyl3,5-DIMETHYLBENZYL BRROMIDE3,5-Dimethylbenzyl bromide,98%
a-BromomesityleneMFCD000135393,5dimethylbenzyl bromide3,5-dimethyl benzyl bromideSCHEMBL5020383,5-Dimethylbenzyl bromide, >=97.0% (GC)5-(bromomethyl)-1,3-dimethylbenzenealpha-Bromomesi
Database identifiers
- CAS
27129-86-8- PubChem CID
- 141334
- DTXSID
DTXSID70181592- EC Number
- 663-901-3
- Nikkaji
- J91.315D
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
- 10
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Melting point
- 37 · 37-39 °C (lit.)
- Boiling point
- 101 · 101-103 °C (8 mmHg)
- Density
- 1.2949 · 1.2949 (estimate)
- refractive index
- 1.5482 · 1.5482 (estimate)
- Flash point
- 109 · 109-110°C/14mm
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Low Melting Crystalline Mass
- color
- Light yellow
- BRN
- 1857343 · 1857343
- InChI
- 1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
- InChIKey
- QXDHXCVJGBTQMK-UHFFFAOYSA-N
- SMILES
- Cc1cc(C)cc(CBr)c1
- CAS DataBase Reference
- 27129 · 27129-86-8(CAS DataBase Reference)
- NIST Chemistry Reference
- Alpha-bromomesitylene(27129-86-8)
- UNSPSC Code
- 12352100 · 12352100
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 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information3,5-Dimethylbenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- 3265
- hs_code
- 29036990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses3,5-Dimethylbenzyl bromide can be used in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
21 records
Compound notes
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