Basic information
- CAS
5153-40-2- Standard SMILES
Cc1c(C)c(C)c(Br)c(C)c1C- InChIKey
XPDQRULPGCFCLX-UHFFFAOYSA-N- Molecular formula
- C11H15Br
- Average molar mass
- 227.14 g/mol
- Monoisotopic mass
- 226.03571258
Names & identifiers
- Preferred name
- Bromopentamethylbenzene
- IUPAC
- 1-bromo-2,3,4,5,6-pentamethylbenzene
- English name
- Bromopentamethylbenzene
- Molecular formula
- C11H15Br
- Molecular weight
- 227.14
Names & synonyms
Bromopentamethylbenzene5153-40-21-bromo-2,3,4,5,6-pentamethylbenzeneEINECS 225-926-4DTXSID20199501NSC 340RefChem:570381DTXCID10121992225-926-4Pentamethylbromobenzene1-BromopentamethylbenzeneBenzene, bromopentamethyl-
Show more names
Bromopentamethylbenzene >Bromopentamethylbenzene, 98+%Benzene, 1-bromo-2,3,4,5,6-pentamethyl-1-bromo-2,3,4,5,6-pentamethylbenzene Bromopentamethylbenzene
MFCD00013523NSC3401-Bromo-2,3,4,5,6-pentamethyl-benzeneNSC-340AKOS004907392CS-W013011AS-11017AS-81524
Database identifiers
- CAS
5153-40-2- PubChem CID
- 78831
- DTXSID
DTXSID20199501- EC Number
- 225-926-4
- Nikkaji
- J265.538A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 161 · 161-162°C
- Boiling point
- 290 °C · 290 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Insoluble in water.
- BRN
- 1863555 · 1863555
- CAS DataBase Reference
- 5153 · 5153-40-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2903.99 · 2903.99.8001
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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
- hs_code
- 2903.99.8001
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesBromopentamethylbenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
江苏贵仁医药有限公司+86-13815020719 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Related reactions
2 records
Compound notes
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