CAS 2527-99-3 Methyl 5-bromofuran-2-carboxylate (HCID 599633)

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Basic information

CAS: 2527-99-3
Standard SMILES: COC(=O)c1ccc(Br)o1
InChIKey: FBPIDMAELBIRLE-UHFFFAOYSA-N
Molecular formula: C6H5BrO3
Average molar mass: 205.01 g/mol
Monoisotopic mass: 203.94220612

Names & identifiers

Preferred name: Methyl 5-bromofuran-2-carboxylate
IUPAC: methyl 5-bromofuran-2-carboxylate
English name: METHYL 5-BROMO-2-FUROATE
Molecular formula: C6H5BrO3
Molecular weight: 205.01

Names & synonyms

Methyl 5-bromofuran-2-carboxylate2527-99-32-Furancarboxylic acid, 5-bromo-, methyl ester2-Furoic acid, 5-bromo-, methyl esterDTXSID50344805RefChem:157679DTXCID70295880622-407-8FBPIDMAELBIRLE-UHFFFAOYSA-NMethyl 5-bromo-2-furoateMFCD00092313methyl 5-bromo-2-furancarboxylate

Show more names

5-bromo-2-furoateAKOS BBS-00004656BUTTPARK 94\04-07RARECHEM AL BF 0601METHYL 5-BROMO-2-FURATEMethyl 5-bromo-2-furanateMethyl 5-bromo-2-furoate,98%methyl 5-bromo-2-furoate 97%

5-Bromo-2-furoic Acid Methyl Ester5-bromo-2-furancarboxylic acid methyl estermethyl 5-bromo-furanateMethyl 5-bromo-2-furoate #5-bromofuroic acid methyl esterSTK075492SR-01000635484-1F3145-2422

Database identifiers

CAS: 2527-99-3
PubChem CID: 599633
DTXSID: DTXSID50344805
EC Number: 622-407-8
Nikkaji: J101.648B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

LogP1.84

Physicochemical properties

Melting point: 63 · 63-68 °C
Boiling point: 80 °C/0.7mmHg · 80°C/0.7mmHg(lit.)
Density: 1.623 · 1.623±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Soluble), DMSO (Slightly)
form: Crystalline Powder
color: White to slightly yellow
Water Solubility: Slightly soluble in water.
λmax: 264 nm · 264nm(EtOH)(lit.)
InChIKey: FBPIDMAELBIRLE-UHFFFAOYSA-N
CAS DataBase Reference: 2527 · 2527-99-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (13%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.