Basic information
- CAS
10531-80-3- Standard SMILES
Cc1ccc2ncoc2c1- InChIKey
SZWNDAUMBWLYOQ-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276384
Overview
6-methylbenzoxazole is a benzoxazole.
Names & identifiers
- Preferred name
- 6-Methylbenzoxazole
- IUPAC
- 6-methyl-1,3-benzoxazole
- English name
- 6-Methylbenzoxazole
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
6-Methylbenzoxazole10531-80-3DTXSID80369304RefChem:309069DTXCID903203406-Methylbenzo[d]oxazole6-methyl-1,3-benzoxazole6-methyl-benzooxazoleMFCD00216937SCHEMBL354233CHEBI:167801AKOS003247527
Show more names
Benzoxazole, 6-methyl-6-methylbenzoxazole99.5+%6-Methyl-1,3-benzoxazole 99+%
PS-4542RS-1027SY036502CS-0100362AM807054FT-0766287SCHEMBL939151SCHEMBL3092188
Database identifiers
- CAS
10531-80-3- PubChem CID
- 2724969
- DTXSID
DTXSID80369304- ChEBI
CHEBI:167801- Nikkaji
- J2.976.625H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 29 · 29-31 °C
- Boiling point
- 245.66 °C · 245.66°C (rough estimate)
- Density
- 1.1475 · 1.1475 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Low Melting Solid
- pka
- 1.28 · 1.28±0.30(Predicted)
- color
- Amber
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers54 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海凌飞医药科技有限公司15618928656 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
13 records
Compound notes
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