2-Bromo-5-methylthiophene-3-carboxylic acid

HCID 11117589
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Basic information

CAS
221061-14-9
Standard SMILES
Cc1cc(C(=O)O)c(Br)s1
InChIKey
DZMYKWBJZZTINV-UHFFFAOYSA-N
Molecular formula
C6H5BrO2S
Average molar mass
221.07 g/mol
Monoisotopic mass
219.9193625

Names & identifiers

Preferred name
2-Bromo-5-methylthiophene-3-carboxylic acid
IUPAC
2-bromo-5-methylthiophene-3-carboxylic acid
English name
2-bromo-5-methyl-3-Thiophenecarboxylic acid
Molecular formula
C6H5BrO2S
Molecular weight
221.07

Names & synonyms

2-Bromo-5-methylthiophene-3-carboxylic acid221061-14-92-bromo-5-methyl-3-thiophenecarboxylic acidMFCD111093852-bromo-5-methyl-thiophene-3-carboxylic Acid3-Thiophenecarboxylic acid, 2-bromo-5-methyl-SCHEMBL2825614DTXSID70455841DZMYKWBJZZTINV-UHFFFAOYSA-NWIA06114AKOS015834930AS-43694
Show more names
2-Bromo-5-methylthiophene-3-carboxylicacidCS-0308082EN300-107064Z1269194127

Database identifiers

CAS
221061-14-9
PubChem CID
11117589
DTXSID
DTXSID70455841
EC Number
876-363-1

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
310.4 · 310.4±42.0 °C(Predicted)
Density
1.784 · 1.784±0.06 g/cm3(Predicted)
pka
3.84 · 3.84±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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