Basic information
- CAS
16110-13-7- Standard SMILES
OCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
FWFOOWHDKQMDKI-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Overview
RN given refers to unlabeled parent cpd
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-methanol
- IUPAC
- benzo[a]anthracen-7-ylmethanol
- English name
- 7-hydroxymethylbenz(a)anthracene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
Benz[a]anthracene-7-methanol16110-13-77-Hydroxymethylbenz(a)anthraceneBenz(a)anthracene-7-methanol7-hydroxymethylbenz[a]anthraceneDTXSID40167065RefChem:9168427-hydroxymethylbenzanthraceneDTXCID1089556benzo[a]anthracen-7-ylmethanoltetraphen-7-ylmethanol(TETRAPHEN-7-YL)METHANOL
Show more names
7-(Hydroxymethyl)benz[a]anthracene7-HmbaCCRIS 236110-Hydroxymethyl-1,2-benzanthraceneBRN 1882113SCHEMBL3343719FWFOOWHDKQMDKI-UHFFFAOYSA-NRAA11013
Database identifiers
- CAS
16110-13-7- PubChem CID
- 85290
- DTXSID
DTXSID40167065- Nikkaji
- J35.554B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 198 °C · >198°C (dec.)
- Boiling point
- 361.57 °C · 361.57°C (rough estimate)
- Density
- 1.0651 · 1.0651 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.36 · 14.36±0.10(Predicted)
- color
- Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
- Toxicity
- dnd-omi 30 mmol/L CBINA8 31,51,80
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMetabolite of formyl-substituted benzanthracenes.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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