Methyl 2-(3-bromophenyl)acetate (HCID 11746402)

Names & identifiers

Preferred name: Methyl 2-(3-bromophenyl)acetate
IUPAC: methyl 2-(3-bromophenyl)acetate
English name: (3-BROMOPHENYL)ACETIC ACID METHYL ESTER
Molecular formula: C9H9BrO2
Molecular weight: 229.07

Names & synonyms

Methyl 2-(3-bromophenyl)acetate150529-73-0Methyl 3-bromophenylacetateDTXSID40471755RefChem:813380DTXCID50422571604-742-1(3-Bromophenyl)acetic acid methyl esterBenzeneacetic acid, 3-bromo-, methyl esterMFCD06858764Methyl m-bromophenylacetate3-Bromophenylacetic acid methyl ester

Show more names

Methyl3-bromophenylacetate98%Methyl 3-bromophenylacetate 98%methyl 2-(3-bromophenyl)acetateeMethyl 2-(3-bromophenyl)acetate, 97%3-Bromophenylacetic acid methyl ester, Methyl 2-(3-bromophenyl)ethanoate

Methyl (3-bromophenyl)acetatemethyl 3-bromobenzeneacetateSCHEMBL1360543-bromophenyl acetic acid methyl esterCS-W019829PS-4897SY004524EN300-130965

Database identifiers

CAS: 150529-73-0
PubChem CID: 11746402
DTXSID: DTXSID40471755
UNII: M52JSD72XN
EC Number: 604-742-1
Nikkaji: J472.804A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 268.6 · 268.6±15.0 °C(Predicted)
Density: 1.445 · 1.445±0.06 g/cm3(Predicted)
refractive index: 1.544 to · 1.5440 to 1.5480
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Harmful/Irritant/Keep Cold
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesMethyl 2-(3-bromophenyl)acetate is used as a reagent to synthesize the methyl ester derivative of (R)-Flurbiprofen (F598730). (R)-Flurbiprofen is a nonsteroidal anti-inflammatory drug that exists as a racemate and also has potential application as a treatment for patients with Alzheimer’s Disease.