1-(Bromomethyl)-2-methoxybenzene

HCID 40308

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Basic information

CAS: 52289-93-7
Standard SMILES: COc1ccccc1CBr
InChIKey: WAUNFWSVXRPCDQ-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: 1-(Bromomethyl)-2-methoxybenzene
IUPAC: 1-(bromomethyl)-2-methoxybenzene
English name: 1-(bromomethyl)-2-methoxybenzene
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

1-(BROMOMETHYL)-2-METHOXYBENZENE52289-93-7DTXSID50200311RefChem:226193DTXCID501228022-methoxybenzylbromide2-Methoxybenzyl BromideBenzene, 1-(bromomethyl)-2-methoxy-MFCD097451281-(bromomethyl)-2-methoxy-benzene1-bromomethyl-2-methoxy-benzene2-(Bromomethyl)anisole

Show more names

1-(bromomethyl)-2-me2-Methoxy bromobenzylo-MethoxybenzylbromideO-(bromomethyl)anisole2-Methoxy benzyl bromideMonoMethoxybenzyl broMidealpha-Bromo-2-methoxytoluene2-Methoxy-1-(bromomethyl)benzene

Benzene,1-(bromomethyl)-2-methoxy-2-MethoxybenzylbromidSCHEMBL178042-Methoxybenzylbromide, 97%1-Bromomethyl-2-methoxybenzeneSCHEMBL28069112SCHEMBL29377714WAUNFWSVXRPCDQ-UHFFFAOYSA-N

Database identifiers

CAS: 52289-93-7
PubChem CID: 40308
DTXSID: DTXSID50200311
EC Number: 828-103-3
Nikkaji: J1.620.984H

Properties

Computed structural properties

XLogP: 2.6
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: 95.3

Physicochemical properties

Melting point: 47 · 47-50℃
Boiling point: 228 ℃ · 228℃
Density: 1.406 · 1.406
Flash point: 90 ℃ · 90℃
storage temp.: -20 °C · Store at -20 °C
form: solid
color: White
InChI: InChI=1S/C8H9BrO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChIKey: WAUNFWSVXRPCDQ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC=C1OC
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280
HS Code: 2909303890 · 2909303890

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.