1-(Bromomethyl)-4-(propan-2-yl)benzene
Basic information
- CAS
65724-11-0- Standard SMILES
CC(C)c1ccc(CBr)cc1- InChIKey
YXTHBZLABLYGEE-UHFFFAOYSA-N- Molecular formula
- C10H13Br
- Average molar mass
- 213.11 g/mol
- Monoisotopic mass
- 212.02006252
Names & identifiers
- Preferred name
- 1-(Bromomethyl)-4-(propan-2-yl)benzene
- IUPAC
- 1-(bromomethyl)-4-propan-2-ylbenzene
- English name
- 4-Isopropyl benzyl bromide
- Molecular formula
- C10H13Br
- Molecular weight
- 213.11
Names & synonyms
73789-86-31-(BROMOMETHYL)-4-(PROPAN-2-YL)BENZENERefChem:427314628-798-14-Isopropylbenzyl bromide1-(Bromomethyl)-4-isopropylbenzene1-(bromomethyl)-4-propan-2-ylbenzenep-CYMENE, BROMO-4-ISOPROPYL BENZYL BROMIDE 97MFCD034272644-IsopropylbenzylbromideBenzene, 1-(bromomethyl)-4-(1-methylethyl)-
Show more names
4-Isopropyl benzyl bromide65724-11-01-Bromomethyl-4-isopropylbenzeneBromo-p-cymeme1-(bromomethyl)-4-isopropyl-benzeneIsopropyl benzyl bromidep-isopropylbenzyl bromideMetamfepramone Impurity 3
Database identifiers
- CAS
65724-11-0、73789-86-3- PubChem CID
- 47719
- DTXSID
DTXSID60215931- EC Number
- 628-798-1
- Nikkaji
- J1.010.179D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 272 · 272-273 °C(lit.)
- Density
- 1.274 g/mL · 1.274 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5500(lit.)
- Flash point
- 230 °F · >230 °F
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 1760 · UN 1760 8/PG 2
- WGK Germany
- 3 · 3
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1760 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
Related reactions
16 records
Compound notes
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