Basic information
- Standard SMILES
O=C(O)c1c2ccccc2cc2ccccc12- InChIKey
XGWFJBFNAQHLEF-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 9-Anthracenecarboxylic acid
- IUPAC
- anthracene-9-carboxylic acid
- English name
- 9-Anthracenecarboxylic acid
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
9-Anthracenecarboxylic acid723-62-69-Anthroic acidANCA9-CarboxyanthraceneAnthracene-10-carboxylic acidDTXSID70494277VK69492FVNSC-151909DTXCID6029387CHEBI:345079-anthracene carboxylic acid
Show more names
AnthraAKOS MSC-01349-anthroicaci9-Anthroate acidMS-ANTHROIC ACID
9-AC cpd9-ACARefChem:107758211-964-9anthracene-9-carboxylic acid9-ACMFCD00001257Spectrum4_000875
Database identifiers
- CAS
723-62-6- PubChem CID
- 2201
- DTXSID
DTXSID7049427- ChEMBL
CHEMBL1513985- ChEBI
CHEBI:34507- UNII
- 7VK69492FV
- EC Number
- 211-964-9
- Nikkaji
- J79.927K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Vapor Pressure0.00000022 [mmHg]
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 213 · 213-217 °C (lit.)
- Boiling point
- 323.41 °C · 323.41°C (rough estimate)
- Density
- 1.1404 · 1.1404 (rough estimate)
- refractive index
- 1.66 · 1.6600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: soluble
- form
- Solid
- pka
- 1 · pK1: 3.65 (25°C)
- color
- Yellow
- Water Solubility
- insoluble
- λmax
- 254 nm · 254 nm at 0.1% in ethanol
- BRN
- 1875336 · 1875336
- InChI
- 1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
- InChIKey
- XGWFJBFNAQHLEF-UHFFFAOYSA-N
- SMILES
- OC(=O)c1c2ccccc2cc3ccccc13
- CAS DataBase Reference
- 723 · 723-62-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 VK69492FV · 7VK69492FV
- NIST Chemistry Reference
- 9 · 9-Anthroic acid(723-62-6)
- EPA Substance Registry System
- 9 · 9-Anthracenecarboxylic acid (723-62-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,C,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 37 · 37/39-26-36-24/25
- WGK Germany
- 3 · 3
- RTECS
- 8764000 · CB8764000
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HS Code
- 29163900 · 29163900
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 127 mg/well · pic-esc 127 mg/well MUREAV 260,349,91
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.
Danger
H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 10 reports by companies.；There are 4 notifications provided by 7 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 9-Anthracenecarboxylic acid
Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29953
9-Anthracenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 750 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 3 (10%)；Skin Irrit. 2 (60%)；Eye Irrit. 2 (60%)；STOT SE 3 (50%)
Regulatory information
Regulatory Information
Chemical: 9-Anthracenecarboxylic acid
Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29953
9-Anthracenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB8764000
- hs_code
- 29163900
- Toxicity
- pic-esc 127 mg/well MUREAV 260,349,91
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,Xn
- hazard_note
- Corrosive
- safety_code
- 37/39-26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Metabolism/Metabolites9-Anthracenecarboxylic acid is a known human metabolite of 9-anthraldehyde.
Uses & manufacturing
UsesChloride channel blocker. [ChemIDplus]
General Manufacturing Information9-Anthracenecarboxylic acid: ACTIVE
Applications
Description9-Anthracenecarboxylic acid (9-AC) is a yellow powder with excellent light stability and fluorescence properties, which can be used as a dye intermediate. The binding constant for fluorescein and 9-AC is 982 M−1, while it is only 81 M−1 for the eosin ester and 9-AC. The fluorescence spectrum of 9-AC in ethanol exhibits strong concentration dependence. At concentrations below 10-5 mol/l, the spectrum displays an anthracene-like structure, whereas above 10-3 mol/l, the spectrum shifts towards the red region, transforming into a broad, structureless band. Furthermore, 9-AC may serve as an electron-transfer ligand for applications in semiconductor or OLED fields.
UsesAnthracene-9-carboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
苏州泽厚生物科技有限公司0512-68716880 19984816880 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
张家港雅瑞化工有限公司0512-58961066 18921980669 · [email protected]
武汉泰宇凯尚科技有限公司027-027-87680032 18963957250 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
Additional notes
DefinitionChEBI: An anthroic acid carrying the carboxy substituent at position 9.
Related reactions
18 records
Linked notes
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