4-Methoxybenzyl bromide

HCID 165021CAS 2746-25-0

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Basic information

Standard SMILES: COc1ccc(CBr)cc1
InChIKey: GIGRWGTZFONRKA-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: 4-Methoxybenzyl bromide
IUPAC: 1-(bromomethyl)-4-methoxybenzene
English name: 4-Methoxybenzyl bromide
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

4-Methoxybenzyl bromideRefChem:524740608-101-72746-25-01-(Bromomethyl)-4-methoxybenzenep-Methoxybenzyl bromideBenzene, 1-(bromomethyl)-4-methoxy-4-Methoxybenzylbromide1-Bromomethyl-4-methoxybenzenep-methoxybenzylbromide1-(bromomethyl)-4-methoxy-benzene1-bromomethyl-4-methoxy-benzene

Show more names

4-methoxybromobenzyl4-Methoxybenzyl brom4-(Bromomethyl)anisolep-(Bromomethyl)anisoleMETHOXYBENZYLBROMIDE(4-)4-Methoxybenzyl bromide ,95%

4-(bromomethyl)-1-methoxybenzenePMBBrMFCD008003804-(bromomethyl)anisol4-methoxy benzylbromide4-methoxy-benzylbromideparamethoxybenzyl bromidepara-Methoxybenzylbromide

Database identifiers

CAS: 2746-25-0
PubChem CID: 165021
DTXSID: DTXSID50181878
EC Number: 608-101-7
Nikkaji: J587.174C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Physicochemical properties

Melting point: 240 °C · 240 °C
Boiling point: 91 °C1 · 91 °C1 mm Hg(lit.)
Density: 1.379 g/mL · 1.379 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5780(lit.)
Flash point: 230 °F · >230 °F
form: liquid
color: Faintly hazy, faint yellow
InChI: InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey: GIGRWGTZFONRKA-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(OC)C=C1
CAS DataBase Reference: 2746 · 2746-25-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P422
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 1 · 1
HazardClass: 8 · 8
HS Code: 29093090 · 29093090
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk: 1
ridadr: UN 3265 8/PG 2
hs_code: 29093090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P260-P280-P422