Basic information
- CAS
10531-78-9- Standard SMILES
Cc1ccc2ocnc2c1- InChIKey
UBIAVBGIRDRQLD-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276384
Names & identifiers
- Preferred name
- 5-Methylbenzoxazole
- IUPAC
- 5-methyl-1,3-benzoxazole
- English name
- 5-METHYLBENZOXAZOLE
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
5-Methylbenzoxazole10531-78-95-methyl-1,3-benzoxazoleDTXSID40369305RefChem:537247DTXCID50320341640-874-65-Methylbenzo[d]oxazoleMFCD002169385-methyl-benzoxazoleAKOS015914692SY018751
Show more names
5-Methyl-benzooxazoleBenzoxazole, 5-methyl-5-Methylbenzoxazole>5-Methylbenzoxazole 97%5-Methylbenzoxazole, 99.5+%
CS-0130444M1688EN300-3878185-Methylbenzo[d]oxazole;5-Methylbenzo[d]oxazole6X-08205-methylbenzooxazole5-Methylbenzoxazole, 97%SCHEMBL423908
Database identifiers
- CAS
10531-78-9- PubChem CID
- 2724970
- DTXSID
DTXSID40369305- EC Number
- 640-874-6
- Nikkaji
- J2.460.740B
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
- 41 · 41-44 °C
- Boiling point
- 96 °C · 96 °C / 15mmHg
- Density
- 1.1475 · 1.1475 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- Flash point
- 87 ℃ · 87℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.66 · 2.66±0.10(Predicted)
- color
- White to Green to Brown
- CAS DataBase Reference
- 10531 · 10531-78-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
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
Danger
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
Safety data
- wgk
- 1
- hs_code
- 29349990
- risk_code
- 36/37/38-37/38-36-34-20/21/22-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C,Xn
- safety_code
- 37/39-26-45-36/37/39-27-39-36
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers97 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Related reactions
15 records
Compound notes
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