Basic information
- CAS
29878-91-9- Standard SMILES
O=C(O)c1cccc2cccc(-c3cccc4cccc(C(=O)O)c34)c12- InChIKey
XGDAODQNSVFBGM-UHFFFAOYSA-N- Molecular formula
- C22H14O4
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.08920892
Overview
8,8'-dicarboxy-1,1'-binaphthalene is a naphthoic acid.
Names & identifiers
- Preferred name
- [1,1'-Binaphthalene]-8,8'-dicarboxylic acid
- IUPAC
- 8-(8-carboxynaphthalen-1-yl)naphthalene-1-carboxylic acid
- English name
- 1,1'-binaphthyl-8,8'-dicarboxylic acid
- Molecular formula
- C22H14O4
- Molecular weight
- 342.34
Names & synonyms
[1,1'-Binaphthalene]-8,8'-dicarboxylic acid1,1'-Binaphthyl-8,8'-dicarboxylic acidNSC 7810(1,1'-Binaphthalene)-8,8'-dicarboxylic acidEINECS 249-922-7DTXSID8067525EC 249-922-7RefChem:391029DTXCID0038093249-922-729878-91-9Dina acid
Show more names
1,1''-Bis-(8-naphthoic acid)1,1′-Binaphthyl-8,8′-dicarbonsure1,1'-dinaphthyl-8,8'-dicarboxylic acid8-(8-carboxylato-1-naphthalenyl)-1-naphthalenecarboxylate[1,1′]Binaphthalenyl-8,8′-dicarboxylic acid, CAS 29878-91-9
[1,1']Binaphthalenyl-8,8'-dicarboxylic acid8-(8-carboxynaphthalen-1-yl)naphthalene-1-carboxylic acidNSC7810NSC-78109TV2DT592LF0020-18498,8'-dicarboxy-1,1'-binaphthaleneCompound P7810
Database identifiers
- CAS
29878-91-9- PubChem CID
- 94908
- DTXSID
DTXSID8067525
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Melting point
- 306 · 306-307℃
- Density
- 1.38 · 1.380±0.06 g/cm3 (20 ºC 760 Torr)
- Boiling point
- 615.7 · 615.7±40.0 °C(Predicted)
- pka
- 2.68 · 2.68±0.10(Predicted)
- form
- Powder
- FDA UNII
- 9 TV2DT592L · 9TV2DT592L
- EPA Substance Registry System
- 1 · [1,1'-Binaphthalene]-8,8'-dicarboxylic acid (29878-91-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,1'-binaphthyl-8,8'-dicarboxylic acid (EC: 249-922-7)
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Binaphthalene]-8,8'-dicarboxylic acid: INACTIVE
Upstream & downstream products
Downstream products
Suppliers8 total
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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