Basic information
- CAS
55720-22-4- Standard SMILES
O=C(O)c1ccc2c3c(cccc13)CC2- InChIKey
DXKAWGBIIVQFIE-UHFFFAOYSA-N- Molecular formula
- C13H10O2
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.06807956
Names & identifiers
- Preferred name
- 5-Acenaphthoic acid
- IUPAC
- 1,2-dihydroacenaphthylene-5-carboxylic acid
- English name
- 5-Acenaphthenecarboxylic acid
- Molecular formula
- C13H10O2
- Molecular weight
- 198.22
Names & synonyms
1,2-dihydroacenaphthylene-5-carboxylic acid55720-22-45-Acenaphthenecarboxylic acid5-Acenaphthylenecarboxylic acid, 1,2-dihydro-5-Acenaphthoic acid1,2-Dihydro-5-acenaphthylenecarboxylic acidYM75C742M7NSC 137409NSC-137409DTXSID30204256RefChem:531844DTXCID30126747
Show more names
A2076/0087263526665_ALDRICHRARECHEM AL BE 08255-Acephthenecarboxylic acid
624-103-0acenaphthene-5-carboxylic acidMFCD00222369NSC137409ChemDiv2_002166Oprea1_525621Oprea1_578532UNII-YM75C742M7
Database identifiers
- CAS
55720-22-4- PubChem CID
- 97619
- DTXSID
DTXSID30204256- UNII
- YM75C742M7
- EC Number
- 624-103-0
- Nikkaji
- J20.971F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 220 · 220-223 °C(lit.)
- Boiling point
- 417 · 417.0±24.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.20(Predicted)
- FDA UNII
- 75 C742M7 · YM75C742M7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 41 reports by companies from 4 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers17 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Aladdin Scientific[email protected]
南京利孚达医药科技有限公司18951933883 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Related reactions
2 records
Compound notes
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