Basic information
- CAS
5018-87-1- Standard SMILES
O=C(O)c1ccccc1C(=O)c1cccc2ccccc12- InChIKey
OXCYAVHGYGKEJY-UHFFFAOYSA-N- Molecular formula
- C18H12O3
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.07864424
Overview
structure in first source
Names & identifiers
- Preferred name
- Ortho-(1-naphthoyl)benzoic acid
- IUPAC
- 2-(naphthalene-1-carbonyl)benzoic acid
- English name
- 2-(Naphthoyl)benzoic acid
- Molecular formula
- C18H12O3
- Molecular weight
- 276.29
Names & synonyms
ortho-(1-naphthoyl)benzoic acido-n-benzoic acidRefChem:5653852-(1-Naphthoyl)benzoic acid5018-87-12-(naphthalene-1-carbonyl)benzoic acidBenzoic acid, 2-(1-naphthalenylcarbonyl)-2-(Naphthoyl)benzoic acidBenzoic acid, o-1-naphthoyl-2-(Naphthalene-1-carbonyl)-benzoic acidMFCD00014313NSC-59936
Show more names
2-naphthalen-1-ylcarbonylbenzoic acid
MLS001195141SMR0005545072-(1-naphthalenylcarbonyl)Benzoic acidNSC59936EINECS 225-702-6NSC 599362-(1-Naphthoyl)benzoicacidNCIOpen2_002520
Database identifiers
- CAS
5018-87-1- PubChem CID
- 78723
- DTXSID
DTXSID3063679- ChEMBL
CHEMBL1605748- UNII
- Z9UWM9S7B3
- EC Number
- 225-702-6
- Nikkaji
- J203.251A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(1-naphthalenylcarbonyl)- (5018-87-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(1-naphthalenylcarbonyl)-: INACTIVE
Suppliers4 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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