Basic information
- CAS
19219-98-8- Standard SMILES
Cc1nc2cc(C)c(C)cc2o1- InChIKey
PDVDINPEWGXOHX-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2,5,6-Trimethylbenzoxazole
- IUPAC
- 2,5,6-trimethyl-1,3-benzoxazole
- English name
- 2,5,6-Trimethylbenzoxazole
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
2,5,6-Trimethylbenzoxazole19219-98-8Benzoxazole, 2,5,6-trimethyl-OW17OD04B8EINECS 242-887-9NSC 73186NSC-73186DTXSID4066466RefChem:444020DTXCID2036035242-887-92,5,6-trimethyl-1,3-benzoxazole
Show more names
2,5,6-TRIMETHYLOXAZOLE2,5,6-Trimethylbenzoxazole,98%11-(4-chlorophenyl)-3-methyl-7,9,11-triazaspiro[5.5]undeca-7,9-diene-8,10-diamine
2,5,6-Trimethylbenzo[d]oxazoleMFCD00022849UNII-OW17OD04B8MLS002693848NSC731862,6-Trimethylbenzoxazole2,5,6-TrimethylbenzoxazolBenzoxazole,5,6-trimethyl-
Database identifiers
- CAS
19219-98-8- PubChem CID
- 87965
- DTXSID
DTXSID4066466- ChEMBL
CHEMBL1727027- UNII
- OW17OD04B8
- EC Number
- 242-887-9
- Nikkaji
- J182.548H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 93.5 · 93.5-94 °C
- Boiling point
- 287.51 °C · 287.51°C (rough estimate)
- Density
- 1.084 · 1.0840 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 19219 · 19219-98-8(CAS DataBase Reference)
- FDA UNII
- 17 OD04B8 · OW17OD04B8
- EPA Substance Registry System
- 2 · Benzoxazole, 2,5,6-trimethyl- (19219-98-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-37/38-36
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2934999090
- risk_code
- 36/37/38-37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 2,5,6-trimethyl-: ACTIVE
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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