Basic information
- CAS
17241-59-7- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(CO)ccc21- InChIKey
JYKHAJGLEVKEAA-UHFFFAOYSA-N- Molecular formula
- C15H10O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.06299418
Overview
2-(hydroxymethyl)anthraquinone is an anthraquinone. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)anthraquinone
- IUPAC
- 2-(hydroxymethyl)anthracene-9,10-dione
- English name
- 2-(Hydroxymethyl)anthraquinone
- Molecular formula
- C15H10O3
- Molecular weight
- 238.24
Names & synonyms
2-(Hydroxymethyl)anthraquinone17241-59-72-(hydroxymethyl)anthracene-9,10-dione2-HydroxymethylanthraquinoneAnthraquinone-2-methanolCHEBI:28649DTXSID10169278HMAQ-oneRefChem:909434DTXCID1091769241-274-3MFCD00001236
Show more names
2-(Hydroxymethyl)anthraouinone2-(hydroxymethyl)-anthraquinon2-(Hydroxymethyl)anthraquinone,97%2-(HydroxyMethyl)anthraquinone, 97% 5GR2-(Hydroxymethyl)anthraquinone, 10 mM in DMSO
CCRIS 35222-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione2-Hydroxymethyl-9,10-anthracenedione9,10-Anthracenedione, 2-(hydroxymethyl)-4-08-00-02607 (Beilstein Handbook Reference)HY-N75022-(hydroxymethyl)-9,10-anthraquinoneEINECS 241-274-3
Database identifiers
- CAS
17241-59-7- PubChem CID
- 87014
- DTXSID
DTXSID10169278- ChEMBL
CHEMBL21049
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 192 · 192-197 °C(lit.)
- Boiling point
- 340.83 °C · 340.83°C (rough estimate)
- Density
- 1.2068 · 1.2068 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 2 %, · chloroform/methanol: soluble2%, clear to slightly hazy, colorless to yellow
- form
- Solid
- pka
- 14.05 · 14.05±0.10(Predicted)
- color
- light yellow
- BRN
- 2120452 · 2120452
- InChI
- 1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
- InChIKey
- JYKHAJGLEVKEAA-UHFFFAOYSA-N
- SMILES
- OCc1ccc2C(=O)c3ccccc3C(=O)c2c1
- LogP
- 2.2 · 2.200 (est)
- CAS DataBase Reference
- 17241 · 17241-59-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- CB7600000
- hs_code
- 29146990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Hydroxymethyl)anthraquinone (a photoremovable protecting group) was used to chemically cage (Z)-11-hexadecen-1-ol (sex pheromone of Chilo infuscatellus snellen).
Suppliers61 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
5 records
Compound notes
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