Basic information
- CAS
20686-65-1- Standard SMILES
Cc1nc2ccc3ccccc3c2o1- InChIKey
JKYSRHYQAVELLH-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 2-Methylnaphth(2,1-d)oxazole
- IUPAC
- 2-methylbenzo[g][1,3]benzoxazole
- English name
- 2-Methylnaphtho(2,1-d)oxazole
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
2-Methylnaphth[2,1-d]oxazoleNaphth[2,1-d]oxazole, 2-methyl-2-Methylnaphth(2,1-d)oxazoleNaphth(2,1-d)oxazole, 2-methyl-EINECS 243-971-8DTXSID2066642RefChem:263886DTXCID8036368243-971-820686-65-12-Methylnaphtho[2,1-d]oxazole2-Methylnaphtho(2,1-d)oxazole
Show more names
2-METHYLNAPHTHOXAZOLE1-d]oxazole,2-methyl-naphth[2-METHYLNAPHTH 2,1-D OXAZOLE2-Methylnaohtho(2,1-d)oxazole2-Methyl-naththo(2,1-d)Oxazole2-Methylnaphth[2,1-d]oxazole,96%2-Methylnaphth[2,1-d]oxazole >
2-methylbenzo[g][1,3]benzoxazoleMFCD000221852-methylbenzo[g]benzoxazoleA9Q3WPF73M2-Methyl[1,2-d]naphthoxazoleSCHEMBL2490973SCHEMBL2517690CHEMBL1617598
Database identifiers
- CAS
20686-65-1- PubChem CID
- 88652
- DTXSID
DTXSID2066642- ChEMBL
CHEMBL1617598- UNII
- A9Q3WPF73M
- EC Number
- 243-971-8
- Nikkaji
- J225.303H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 37 °C · 37 °C
- Boiling point
- 302 °C · 302°C(lit.)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- refractive index
- 1.634 · 1.634-1.637
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.16 · 2.16±0.30(Predicted)
- color
- White to Almost white
- λmax
- 283 nm · 283nm(Octane)(lit.)
- InChI
- InChI=1S/C12H9NO/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3
- InChIKey
- JKYSRHYQAVELLH-UHFFFAOYSA-N
- SMILES
- O1C2=C3C(C=CC=C3)=CC=C2N=C1C
- LogP
- 2.813 · 2.813 (est)
- NIST Chemistry Reference
- 2 · 2-Methyl-1-naphthoxazole(20686-65-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphth[2,1-d]oxazole, 2-methyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers51 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Sirichem (Zhangjiakou) Sci-Tech.Co.,Ltd.+86-15831567206
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…