Basic information
- CAS
2471-70-7- Standard SMILES
COc1ccc2cc(C(=O)O)ccc2c1- InChIKey
YZBILXXOZFORFE-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Overview
6-Methoxy-2-naphthoic acid is a naphthoic acid.
Names & identifiers
- Preferred name
- 6-Methoxy-2-Naphthoic Acid
- IUPAC
- 6-methoxynaphthalene-2-carboxylic acid
- English name
- 6-Methoxy-2-naphthoic acid
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
6-Methoxy-2-naphthoic acid2471-70-72-Naphthalenecarboxylic acid, 6-methoxy-6-Methoxy-2-naphthalenecarboxylic acidUNII-65IH1SV66A2-Methoxy-6-naphthalenecarboxylic acidNSC-40878665IH1SV66ANaproxen specified impurity O [EP]DTXSID60179448NAPROXEN IMPURITY O [EP IMPURITY]NAPROXEN IMPURITY O (EP IMPURITY)
Show more names
6-methoxynaphthalene-2-carboxylateTRC102TRC 102TRC-102NSC 408786BUTTPARK 34\09-14RARECHEM AL BO 0243Naproxen EP Impurity6-Methoxy-2-naphtoic acid
RefChem:104915Naproxen specified impurity ODTXCID90101939607-425-66-methoxynaphthalene-2-carboxylic acidNaproxen Impurity OMFCD00092750Naproxen EP Impurity O
Database identifiers
- CAS
2471-70-7- PubChem CID
- 349181
- DTXSID
DTXSID60179448- ChEMBL
CHEMBL1510822- ChEBI
CHEBI:192675- UNII
- 65IH1SV66A
- EC Number
- 607-425-6
- Nikkaji
- J746.007D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 201 · 201-206 °C (lit.)
- Boiling point
- 371.1 · 371.1±17.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly. Sonicated), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.3 · 4.30±0.30(Predicted)
- color
- White to Pale Brown
- BRN
- 2211233 · 2211233
- InChI
- InChI=1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
- InChIKey
- YZBILXXOZFORFE-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(OC)C=C2)=CC=C1C(O)=O
- CAS DataBase Reference
- 2471 · 2471-70-7(CAS DataBase Reference)
- FDA UNII
- 65 IH1SV66A · 65IH1SV66A
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 2918992090 · 2918992090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918992090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn impurity of Naproxen (N377525) with bactericidal and fungicidal activity. A metabolite of Nabumetone (N200500). Naproxen USP Related Compound A.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
西安凯翔医药科技有限公司029-86538357
ChemeGen 中国18818260767 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
凯试（上海）科技有限公司021-50135380 · [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]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Additional notes
DefinitionChEBI: 6-Methoxy-2-naphthoic acid is a naphthoic acid.
Related reactions
13 records
Compound notes
Loading…