Basic information
- CAS
5676-58-4- Standard SMILES
Cc1ccc2oc(C)nc2c1- InChIKey
XVQGFGKAPKEUFT-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 2,5-Dimethylbenzoxazole
- IUPAC
- 2,5-dimethyl-1,3-benzoxazole
- English name
- 2,5-Dimethylbenzoxazole
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
2,5-Dimethylbenzoxazole5676-58-4BENZOXAZOLE, 2,5-DIMETHYL-EINECS 227-136-5NSC 93785518Y7AS4WLNSC-93785UNII-518Y7AS4WLDTXSID7063974RefChem:82956DTXCID5042112227-136-5
Show more names
2,5-dimethyl-benzoxazol2,5-Dimethylbenzoxazole>2,5-DiMethylbenzo[d]oxazole2,5-Dimethylbenzoxazole,99%
InChI=1/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2HXVQGFGKAPKEUFT-UHFFFAOYSA-N2,5-Dimethylbenzo[d]oxazole2,5-Dimethyl-1,3-benzoxazoleMFCD00005773Benzoxazole,5-dimethyl-2,5-dimethyl-benzoxazoleNSC93785
Database identifiers
- CAS
5676-58-4- PubChem CID
- 21884
- DTXSID
DTXSID7063974- UNII
- 518Y7AS4WL
- EC Number
- 227-136-5
- Nikkaji
- J41.883H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 218 · 218-219 °C(lit.)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.542(lit.)
- Flash point
- 196 °F · 196 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.07 · 3.07±0.10(Predicted)
- form
- Liquid
- color
- Clear yellow to brown
- LogP
- 2.01 · 2.010 (est)
- CAS DataBase Reference
- 5676 · 5676-58-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 518 Y7AS4WL · 518Y7AS4WL
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 Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DM4821600
- hs_code
- 29349990
- risk_code
- 36/37/38-37/38-36-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 23-24/25-37/39-26-36
- Hazard statements
- H335-H227-H315-H319
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 2,5-dimethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers84 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Related reactions
1 records
Compound notes
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