Basic information
- CAS
31792-47-9- Standard SMILES
O=C(O)c1cc(-c2cccs2)nc2ccccc12- InChIKey
YDZHUFHFHQWQQB-UHFFFAOYSA-N- Molecular formula
- C14H9NO2S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.0353997
Names & identifiers
- Preferred name
- 2-(Thiophen-2-yl)quinoline-4-carboxylic acid
- IUPAC
- 2-thiophen-2-ylquinoline-4-carboxylic acid
- English name
- 2-Thiophen-2-yl-quinoline-4-carboxylic acid
- Molecular formula
- C14H9NO2S
- Molecular weight
- 255.29
Names & synonyms
2-(thiophen-2-yl)quinoline-4-carboxylic acidRefChem:462405673-199-031792-47-92-Thiophen-2-yl-quinoline-4-carboxylic acid2-(2-thienyl)quinoline-4-carboxylic acid2-thiophen-2-ylquinoline-4-carboxylic acidMFCD001782582-thien-2-ylquinoline-4-carboxylic acid2-(2-Thienyl)-4-quinolinecarboxylic acid2-[2-Thienyl]cinchoninic acidEnamine_001347
Show more names
Zinc00064786AKOS B000575AKOS BBS-00000715IFLAB-BB F0239-1084TIMTEC-BB SBB0073482-(2-thienyl)cinchoninic acid
CBMicro_024213Cambridge id 5403248MixCom6_001237Oprea1_204830Oprea1_452674AKOS BB-9096SCHEMBL4461418CHEMBL2049023
Database identifiers
- CAS
31792-47-9- PubChem CID
- 620452
- DTXSID
DTXSID50347351- ChEMBL
CHEMBL2049023- EC Number
- 673-199-0
- Nikkaji
- J990.958C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 211 °C · 211 °C(Solv: ethanol (64-17-5))
- Boiling point
- 458.1 · 458.1±40.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.10(Predicted)
- CAS DataBase Reference
- 31792 · 31792-47-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
重庆卡兰医药有限公司[email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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