Basic information
- CAS
2107-69-9- Standard SMILES
COc1cc2c(cc1OC)C(=O)CC2- InChIKey
IHMQOBPGHZFGLC-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Overview
structure in first source
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1-indanone
- IUPAC
- 5,6-dimethoxy-2,3-dihydroinden-1-one
- English name
- 5,6-Dimethoxy-1-indanone
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
5,6-Dimethoxy-1-indanone2107-69-95,6-Dimethoxyindan-1-one1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-DTXSID9057680F805RZI8GONSC-401450DTXCID6031469RefChem:101193218-287-85,6-dimethoxy-2,3-dihydro-1H-inden-1-one5,6-Dimethoxy-indan-1-one
Show more names
2,3-Dihydro-5,6-dimethoxy-1H-inden-1-oneAB1007066AKOS 908055,6-Dimethoxy-1DiMethoxy-1-indan5,6-Dimethoxy-1-indaDonepezil Impurity 255, 6-dimethoxy-indenone
5,6-dimethoxy-2,3-dihydroinden-1-oneMFCD00003790Donepezil EP impurity BNSC401450CHEMBL6113565,6-Dimethoxy-1-Indanone (Donepezil Impurity)5,6-bis(methyloxy)-2,3-dihydro-1H-inden-1-one5,6-dimethoxyindanone
Database identifiers
- CAS
2107-69-9- PubChem CID
- 75018
- DTXSID
DTXSID9057680- ChEMBL
CHEMBL611356- UNII
- F805RZI8GO
- EC Number
- 218-287-8
- Nikkaji
- J265.472E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 118120 °C · 118120°C
- Boiling point
- 139 °C · 139 °C / 2mmHg
- Density
- 1.1503 · 1.1503 (rough estimate)
- refractive index
- 1.46 · 1.4600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate
- form
- Solid
- color
- Off-White to Pale Yellow
- BRN
- 1241095 · 1241095
- InChI
- InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
- InChIKey
- IHMQOBPGHZFGLC-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(OC)C(OC)=C2)CC1
- CAS DataBase Reference
- 2107 · 2107-69-9(CAS DataBase Reference)
- FDA UNII
- 805 RZI8GO · F805RZI8GO
- NIST Chemistry Reference
- 1 · 1-Indanone, 5,6-dimethoxy-,(2107-69-9)
- EPA Substance Registry System
- 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy- (2107-69-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2914390090 · 2914390090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.
Warning
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2914390090
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-: ACTIVE
Applications
Uses5,6-Dimethoxy-1-indanone was used in the synthesis of 2,3-dimethoxy-11H-indeno[1,2-b]quinoline-6,10-dicarboxylic acid.
Uses5,6-Dimethoxy-1-indanone can be an intermediate useful in the preparation of Donepezil.
General DescriptionThiosemicarbazone derived from 5,6-dimethoxy-1-indanone inhibits bovine viral diarrhea virus infection.
Upstream & downstream products
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]
济南诚汇双达生物有限公司053158897070 15550412551
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[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]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
安徽德信佳生物医药有限公司0531-82375818 15064153060 · [email protected]
上海微巨实业有限公司021-34628682 18918069061 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [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]
武汉科美沃化工有限公司027-85736489 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
山东铭枫医药科技有限公司053155551677 15315114555 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
沧州那瑞化学科技有限公司+86-317-3563899 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [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]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
武汉励合化学新材料有限公司027-88395709
Related reactions
57 records
Compound notes
Loading…