5-Formyl-2-thiophenecarboxylic Acid

HCID 818882CAS 4565-31-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(C(=O)O)s1
InChIKey
VFEAMMGYJFFXKV-UHFFFAOYSA-N
Molecular formula
C6H4O3S
Average molar mass
156.16 g/mol
Monoisotopic mass
155.98811499

Names & identifiers

Preferred name
5-Formyl-2-thiophenecarboxylic Acid
IUPAC
5-formylthiophene-2-carboxylic acid
English name
5-Formyl-2-thiophenecarboxylic acid
Molecular formula
C6H4O3S
Molecular weight
156.16

Names & synonyms

4565-31-55-Formyl-2-thiophenecarboxylic AcidDTXSID90355995RefChem:303246DTXCID30307054671-160-25-formylthiophene-2-carboxylic acidMFCD001914372-Thiophenecarboxylic acid, 5-formyl-5-formyl-2-thiophene carboxylic acid5-formyl-thiophene-2-carboxylic acid5-Formylthenoic Acid
Show more names
AKOS MSC-0225AURORA KA-67555-formyl-2-thiophenecarboxylate2-Formyl-5-thiophenecarboxylic acid5-Carboxy-2-thiophenecarboxaldehyde5-Formyl-2-thiophenecarboxylicAcid>
SCHEMBL209887CHEMBL42800232-formyl thiophen-5-carboxylic acid5-formyl-thiophen-2-carboxylic acidBDBM50467734SY022710CS-0017900AMY3041

Database identifiers

CAS
4565-31-5
PubChem CID
818882
DTXSID
DTXSID90355995
ChEMBL
CHEMBL4280023
EC Number
671-160-2
Nikkaji
J150.331F

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
169 °C · 169 °C
Boiling point
371.4 · 371.4±27.0 °C(Predicted)
Density
1.514 · 1.514±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal
pka
3.05 · 3.05±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

hs_code
29349990
risk_code
36/37/38-36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Applications

Uses5-Formyl-2-thiophenecarboxylic acid is a thiophene derivative as immunomodulating agents useful in the treatment of autoimmune diseases.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Related reactions

31 records
New reaction record

Linked notes

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5-Formyl-2-thiophenecarboxylic Acid (HCID 818882)｜Huagongshe