Basic information
- CAS
5085-74-5- Standard SMILES
COc1cc2ccccc2c2ccccc12- InChIKey
BPGOLTXKNOSDMR-UHFFFAOYSA-N- Molecular formula
- C15H12O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.088815
Names & identifiers
- Preferred name
- 9-Methoxyphenanthrene
- IUPAC
- 9-methoxyphenanthrene
- English name
- 9-Methoxyphenanthrene
- Molecular formula
- C15H12O
- Molecular weight
- 208.26
Names & synonyms
9-Methoxyphenanthrene5085-74-5Phenanthrene, 9-methoxy-DTXSID90346202RefChem:313175DTXCID40297275BPGOLTXKNOSDMR-UHFFFAOYSA-NSCHEMBL1128095SCHEMBL2782522SCHEMBL11202867STK331793AKOS005439415
Show more names
AR-D22 9-METHOXYPHENANTHRENE9-Methoxyphenanthrene in isooctane
AR-D22 9-METHOXYPHENANTHRENEHS-3131DB-350951
Database identifiers
- CAS
5085-74-5- PubChem CID
- 610364
- DTXSID
DTXSID90346202- EC Number
- 103-052-3
- Nikkaji
- J133.557J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 90 · 90-92 °C
- Boiling point
- 375.5 · 375.5±11.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海昂卓新材料科技有限公司13918481594 13918481594 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
6 records
Compound notes
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