Basic information
- CAS
52222-87-4- Standard SMILES
O=C(c1ccccc1)c1ccc2cc(O)ccc2c1- InChIKey
MJKZGSBXCWNUHV-UHFFFAOYSA-N- Molecular formula
- C17H12O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.08372962
Names & identifiers
- Preferred name
- 6-Benzoyl-2-naphthol
- IUPAC
- (6-hydroxynaphthalen-2-yl)-phenylmethanone
- English name
- 6-BENZOYL-2-NAPHTHOL
- Molecular formula
- C17H12O2
- Molecular weight
- 248.28
Names & synonyms
6-Benzoyl-2-naphthol52222-87-4Ketone, 6-hydroxy-2-naphthyl phenylUVY9GCI1OVMethanone, (6-hydroxy-2-naphthalenyl)phenyl-EINECS 257-755-6NSC 157897UNII-UVY9GCI1OVBRN 3294044(6-HYDROXY-2-NAPHTHALENYL)PHENYLMETHANONENaphthalene, 2-hydroxy-6-benzoyl-NSC-157897
Show more names
6-BENZOYL-2-NAPHTHOL 98%6-Benzoylnaphthalene-2-ol6-BENZOYL-2-NAPHTHOL, 98+%ketone,6-hydroxy-2-naphthylphenylPhenyl(6-hydroxy-2-naphtyl) ketone6-HYDROXY-2-NAPHTHYL PHENYL KETONE(6-Hydroxy-2-naphthyl)(phenyl)methanone
3-08-00-01613 (Beilstein Handbook Reference)DTXSID30200273Methanone, (6-hydroxy-2-naphthalenyl) phenyl(6-HYDROXYNAPHTHALEN-2-YL)PHENYLMETHANONERefChem:104250DTXCID30122764Methanone, (6-hydroxy-2-naphthalenyl)phenyl-(9CI)257-755-6
Database identifiers
- CAS
52222-87-4- PubChem CID
- 93271
- DTXSID
DTXSID30200273- ChEMBL
CHEMBL1496592- UNII
- UVY9GCI1OV
- EC Number
- 257-755-6
- Nikkaji
- J71.226D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 161 · 161-162 °C (lit.)
- Boiling point
- 351.35 °C · 351.35°C (rough estimate)
- Density
- 1.129 · 1.1290 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- solubility
- 50 mg/mL · ethanol: soluble50mg/mL
- pka
- 8.77 · 8.77±0.40(Predicted)
- InChI
- 1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H
- InChIKey
- MJKZGSBXCWNUHV-UHFFFAOYSA-N
- SMILES
- Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3
- CAS DataBase Reference
- 52222 · 52222-87-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 GCI1OV · UVY9GCI1OV
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · 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
- WGK Germany
- 3 · 3
- RTECS
- 4360000 · OB4360000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 80 mg/L · otr-ham:kdy 80 mg/L BJCAAI 37,873,78
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- OB4360000
- Toxicity
- otr-ham:kdy 80 mg/L BJCAAI 37,873,78
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6-Benzoyl-2-naphthol was used in the synthesis of potassium 6-benzoyl-2-naphthyl sulfate, substrate for histochemical investigation of aryl sulfatase activity. It was also used in preparation of substrate for histochemical demonstration of acid phosphatase in the organs of albino rat.
Suppliers15 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
1 records
Compound notes
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