1-(Bromomethyl)-4-(propan-2-yl)benzene

HCID 47719CAS 65724-11-0

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Basic information

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 Å²
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

GHS classification

GHS Classification · 4 items

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.