Basic information
- CAS
78554-65-1- Standard SMILES
COc1ccc2c(c1)CCc1cc(C(=O)O)sc1-2- InChIKey
QMMBYYCLUIZAIF-UHFFFAOYSA-N- Molecular formula
- C14H12O3S
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.05071541
Names & identifiers
- Preferred name
- 7-methoxy-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
- IUPAC
- 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
- English name
- 7-Methoxy-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
- Molecular formula
- C14H12O3S
- Molecular weight
- 260.31
Names & synonyms
7-methoxy-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid7-methoxy-4H,5H-naphtho(1,2-b)thiophene-2-carboxylic acidRefChem:546714985-371-578554-65-17-methoxy-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acidNaphtho[1,2-b]thiophene-2-carboxylicacid, 4,5-dihydro-7-methoxy-MLS000773834CHEMBL1567079SCHEMBL11902151DTXSID40395104
Show more names
Naphtho[1,2-b]thiophene-2-carboxylic acid, 4,5-dihydro-7-methoxy-
QMMBYYCLUIZAIF-UHFFFAOYSA-NBDBM773729HMS2747D04DDA554657-METHOXY-4,5-DIHYDRONAPHTHO[1,2-B]THIOPHENE-2-CARBOXYLICACIDAKOS000265725SMR000364669DB-350830
Database identifiers
- CAS
78554-65-1- PubChem CID
- 3691174
- DTXSID
DTXSID40395104
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 488.8 · 488.8±45.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.20(Predicted)
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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