CAS 20037-37-0 5-Bromo-7-methoxy-2-benzofurancarboxylic acid (HCID 3358971)

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Basic information

CAS: 20037-37-0
Standard SMILES: COc1cc(Br)cc2cc(C(=O)O)oc12
InChIKey: OEICZFFUNDGUEF-UHFFFAOYSA-N
Molecular formula: C10H7BrO4
Average molar mass: 271.06 g/mol
Monoisotopic mass: 269.9527708

Names & identifiers

Preferred name: 5-Bromo-7-methoxy-2-benzofurancarboxylic acid
IUPAC: 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
English name: CHEMBRDG-BB 6745535
Molecular formula: C10H7BrO4
Molecular weight: 271.06

Names & synonyms

5-bromo-7-methoxy-2-benzofurancarboxylic acidRefChem:5339175-bromo-7-methoxy-1-benzofuran-2-carboxylic acid20037-37-05-bromo-7-methoxybenzofuran-2-carboxylic acidMFCD043525132-Benzofurancarboxylic acid, 5-bromo-7-methoxy-CHEMBL1738915DTXSID60391769SCHEMBL7382658OEICZFFUNDGUEF-UHFFFAOYSA-NBDBM50345232

Show more names

CHEMBRDG-BB 67455355-bromo-7-methoxy-1-benzofuran-2-carboxylic acid(SALTDATA: FREE)

STK195773XH1513AKOS000113256BP-20303DA-18493ST41088935-bromo-7-methoxybenzofuran-2-carboxylicacidCS-0118759

Database identifiers

CAS: 20037-37-0
PubChem CID: 3358971
DTXSID: DTXSID60391769
ChEMBL: CHEMBL1738915
EC Number: 109-951-7

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 59.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 258

Physicochemical properties

Melting point: 250 °C · 250 °C
Boiling point: 397.4 · 397.4±37.0 °C(Predicted)
Density: 1.704 · 1.704±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: solid
pka: 2.86 · 2.86±0.30(Predicted)
Appearance: White to off-white Solid
InChI: 1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKey: OEICZFFUNDGUEF-UHFFFAOYSA-N
SMILES: O=C(O)C1=CC2=C(C(OC)=CC(Br)=C2)O1
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 305 · P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.