Basic information
- CAS
59770-99-9- Standard SMILES
CC(C)c1ccc(C(C)Br)cc1- InChIKey
RZANZYMHOGTILI-UHFFFAOYSA-N- Molecular formula
- C11H15Br
- Average molar mass
- 227.14 g/mol
- Monoisotopic mass
- 226.03571
Names & identifiers
- Preferred name
- 1-(1-Bromoethyl)-4-(1-methylethyl)benzene
- IUPAC
- 1-(1-bromoethyl)-4-propan-2-ylbenzene
- English name
- 1-(1-Bromo-ethyl)-4-isopropyl-benzene
- Molecular formula
- C11H15Br
- Molecular weight
- 227.14
Names & synonyms
59770-99-91-(1-bromoethyl)-4-(propan-2-yl)benzene1-(1-Bromoethyl)-4-(1-methylethyl)benzeneDTXSID301270318RefChem:419685DTXCID901700919889-732-71-(1-bromoethyl)-4-isopropylbenzeneMFCD111031261-(1-bromoethyl)-4-propan-2-ylbenzeneSCHEMBL5695686JCA77099
Show more names
1-(1-bromoethyl)-4-isopropyl-benzene1-(1-Bromo-ethyl)-4-isopropyl-benzeneAS-94965SY156202EN300-132611G63637Benzene, 1-(1-bromoethyl)-4-(1-methylethyl)-F960398
Database identifiers
- CAS
59770-99-9- PubChem CID
- 13682012
- DTXSID
DTXSID301270318- EC Number
- 889-732-7
- Nikkaji
- J2.842.473F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 247 · 247.0±9.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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