CAS 22002-45-5 2-Bromo-4-methylanisole (HCID 89143)

Names & identifiers

Preferred name: 2-Bromo-4-methylanisole
IUPAC: 2-bromo-1-methoxy-4-methylbenzene
English name: 3-Bromo-4-methoxytoluene
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

3-Bromo-4-methoxytoluene2-Bromo-4-methylanisoleHUX4EC3EUDBenzene, 2-bromo-1-methoxy-4-methyl-DTXSID5066746EINECS 244-705-31-BROMO-2-METHOXY-5-METHYLBENZENERefChem:85736DTXCID2036588244-705-3DHPUIKWBNXTXOB-UHFFFAOYSA-N22002-45-5

Show more names

m-Bromo-p-methoxytoluene2-Bromo-4-methylanisole 98%3-Bromo-4-methoxytoluene >3-Bromo-4-methoxytoluene 98%2-bromo-1-methoxy-4-methyl-benzen2-Bromo-4-methyl-1-methoxybenzene1-Methoxy-2-bromo-4-methylbenzene

2-Bromo-1-methoxy-4-methylbenzeneBenzene,2-bromo-1-methoxy-4-methyl-3-bromo-4-methoxy tolueneAnisole, 2-bromo-4-methyl-MFCD000177834-methyl-2-bromoanisoleUNII-HUX4EC3EUD2-Bromo-4-methyl anisole

Database identifiers

CAS: 22002-45-5
PubChem CID: 89143
DTXSID: DTXSID5066746
UNII: HUX4EC3EUD
EC Number: 244-705-3
Nikkaji: J32.079J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 15.5 °C · 15.5 °C(lit.)
Boiling point: 124 · 124-125 °C20 mm Hg(lit.)
Density: 1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.565(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
Specific Gravity: 1.41 · 1.41
color: Clear, dark yellow to brown
InChI: InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
InChIKey: DHPUIKWBNXTXOB-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(C)C=C1Br
CAS DataBase Reference: 22002 · 22002-45-5(CAS DataBase Reference)
FDA UNII: 4 EC3EUD · HUX4EC3EUD
EPA Substance Registry System: 2 · 2-Bromo-4-methylanisole (22002-45-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2909309090 · 2909309090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (95.5%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 2909309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2-bromo-1-methoxy-4-methyl-: INACTIVE

Applications · 2 items

Uses2-Bromo-4-methylanisole may be used in the synthesis of:1,6-bis(2-hydroxy-5-methylphenyl)pyridine (H2mdppy)1,8-dimethoxy-4-methylanthra-quinoneethyl 2-(2-methoxy-5-methylphenyl)-2-methyl-4-oxocyclopentanecarboxylateIt may be used as starting material in the multi-step synthesis of sesquiterpene (±)-herbertenolide.

General Description2-Bromo-4-methylanisole can be prepared via bromination of 4-methylanisole using poly(4-vinylpyridinium bromochromate).