2-Bromoanisole

HCID 11358CAS 578-57-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1Br
InChIKey
HTDQSWDEWGSAMN-UHFFFAOYSA-N
Molecular formula
C7H7BrO
Average molar mass
187.03 g/mol
Monoisotopic mass
185.96802694

Names & identifiers

Preferred name
2-Bromoanisole
IUPAC
1-bromo-2-methoxybenzene
English name
2-Bromoanisole
Molecular formula
C7H7BrO
Molecular weight
187.03

Names & synonyms

2-Bromoanisole1-BROMO-2-METHOXYBENZENE578-57-4o-BromoanisoleBenzene, 1-bromo-2-methoxy-2-Methoxybromobenzeneo-Anisyl bromide2-Bromo-1-methoxybenzene2-Methoxyphenyl bromideAnisole, o-bromo-o-Methoxybromobenzeneo-Methoxyphenyl bromide
Show more names
2-BROMOANISOL2-broMoaniolseo-bromo-anisolO-Bromoanisoleso-anisylbromide
o-Bromophenyl methyl etherX3XAZ6R3FLNSC 6977EINECS 209-425-8BRN 1859996AI3-01057NSC-69772-Bromo-3-methoxybenzene

Database identifiers

CAS
578-57-4
PubChem CID
11358
DTXSID
DTXSID4060367
UNII
X3XAZ6R3FL
EC Number
209-425-8
Nikkaji
J7.426H

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.87
Vapor Pressure0.28 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
2 °C · 2 °C (lit.)
Boiling point
223 °C · 223 °C (lit.)
Density
1.502 g/mL · 1.502 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.573(lit.)
Flash point
206 °F · 206 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.1% (2 of 33) of reports.

Warning

H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 33 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 1-bromo-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses tetany in oral lethal-dose studies of mice and rats; Causes ataxia, coma, and cough in inhalation lethal-concentration studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS] See 4-Bromoanisole and 3-Bromoanisole.
Hazard Classes and CategoriesSkin Irrit. 2 (15.2%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 20 mg/m3

Safety data

F
8-10-23
PPE
Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
BZ8500000
ridadr
UN 3082 9/PG 3

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-bromo-2-methoxy-: ACTIVE
Applications · 3 items

Uses2-Bromoanisole was used in the synthesis of unsymmetrical substituted biphenyl compounds, used to produce (2-methoxy-phenyl)-acetone at the temperature of 100°C.

Uses2-Bromoanisole was used in the synthesis of unsymmetrically substituted biphenyl compounds. It was also used in the preparation of the family of exo-[n.m.n.m]metacyclophanes (n,m > or = 3).

General DescriptionDiffusion coefficients of 2-bromoanisole at infinite dilution in supercritical carbon dioxide has been evaluated by Taylor-Aris chromatographic technique.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
盐城市胜达化工有限公司0515-83072966 13016507129
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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Linked notes

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