Basic information
- Standard SMILES
O=C(O)c1cccc2c1Cc1ccccc1-2- InChIKey
HTPXFGUCAUTOEL-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Overview
structure given in first source
Names & identifiers
- Preferred name
- Fluorene-1-carboxylic acid
- IUPAC
- 9H-fluorene-1-carboxylic acid
- English name
- 1-Fluorenecarboxylic acid
- Molecular formula
- C14H10O2
- Molecular weight
- 210.23
Names & synonyms
9h-fluorene-1-carboxylic acidFluorene-1-carboxylic acid6276-03-5AO792VD660NSC-36445DTXSID40211830RefChem:140879DTXCID70134321228-472-51-FLUORENECARBOXYLIC ACIDMFCD00001130fluorenecarboxylic acid
Show more names
1-FluorenecarboxylicAci1-FluorenecarboxylicAcid>9H-FLUORENE-1-CARBOXYLIC ACID
9H-Fluorene-1-carboxylicacidNSC364451-CARBOXYFLUORENE1-fluorene carboxylic acidSCHEMBL67699SCHEMBL1567078SCHEMBL3452749SCHEMBL6842140
Database identifiers
- CAS
6276-03-5- PubChem CID
- 80468
- DTXSID
DTXSID40211830- UNII
- AO792VD660
- EC Number
- 228-472-5
- Nikkaji
- J211.513A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 246 · 246-248 °C (lit.)
- Boiling point
- 100 °C · 100 °C / 12mmHg
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Tetrahydrofuran
- form
- powder to crystal
- pka
- 4.11 · 4.11±0.20(Predicted)
- color
- Light orange to Yellow to Green
- InChI
- 1S/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)
- InChIKey
- HTPXFGUCAUTOEL-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccc-2c1Cc3ccccc-23
- CAS DataBase Reference
- 6276 · 6276-03-5(CAS DataBase Reference)
- FDA UNII
- 792 VD660 · AO792VD660
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36/37/39-27-26
- WGK Germany
- 3 · 3
- HS Code
- 29163900 · 29163900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37/39-27-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Fluorenecarboxylic Acid is an intermediate used in the synthesis of Fluoren-1-ol (F462450), which is a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population. Also, it possesses interface electronic properties. Achiral fluorescent agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers29 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
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广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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