Basic information
- CAS
1646-53-3- Standard SMILES
Cc1cc(C)c(C)c(Br)c1C- InChIKey
WJKBPTLQJXKEHC-UHFFFAOYSA-N- Molecular formula
- C10H13Br
- Average molar mass
- 213.11 g/mol
- Monoisotopic mass
- 212.02006
Names & identifiers
- Preferred name
- 3-Bromo-1,2,4,5-tetramethylbenzene
- IUPAC
- 3-bromo-1,2,4,5-tetramethylbenzene
- English name
- 1-Bromo-2,3,5,6-tetramethylbenzene
- Molecular formula
- C10H13Br
- Molecular weight
- 213.11
Names & synonyms
1646-53-33-Bromo-1,2,4,5-tetramethylbenzeneEINECS 216-707-4DTXSID20167780NSC 87881RefChem:498125DTXCID8090271216-707-43-Bromodurene1-Bromo-2,3,5,6-tetramethylbenzeneBromodureneBromodurene, Pract.
Show more names
TIMTEC-BB SBB0082212,3,5,6-Tetramethylbromobenzene3-Bromodurene~3-Bromo-1,2,4,5-tetramethylbenzene~2,3,5,6-Tetramethylbromobenzene
Benzene, 3-bromo-1,2,4,5-tetramethyl-MFCD00000070Duryl bromideNSC87881SCHEMBL17935761-Bromo-2,5,6-tetramethylbenzeneNSC-87881AKOS000202445
Database identifiers
- CAS
1646-53-3- PubChem CID
- 74240
- DTXSID
DTXSID20167780- EC Number
- 216-707-4
- Nikkaji
- J149.972F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 60 · 60-62 °C(lit.)
- Boiling point
- 111 · 111-113 °C6 mm Hg(lit.)
- Density
- 1.2441 · 1.2441 (estimate)
- refractive index
- 1.5365 · 1.5365 (estimate)
- Flash point
- 115 · 115-120°C/5mm
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- BRN
- 2207158 · 2207158
- CAS DataBase Reference
- 1646 · 1646-53-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Bromo-1,2,4,5-tetramethylbenzene is an organic reagent used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers62 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
1 records
Compound notes
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