4-Methyloxazole-5-carbonitrile
Basic information
- CAS
1003-52-7- Standard SMILES
Cc1ncoc1C#N- InChIKey
JZSLPQXOLZCAME-UHFFFAOYSA-N- Molecular formula
- C5H4N2O
- Average molar mass
- 108.1 g/mol
- Monoisotopic mass
- 108.03236276
Names & identifiers
- Preferred name
- 4-Methyloxazole-5-carbonitrile
- IUPAC
- 4-methyl-1,3-oxazole-5-carbonitrile
- English name
- 4-Methyl-1,3-oxazole-5-carbonitrile
- Molecular formula
- C5H4N2O
- Molecular weight
- 108.1
Names & synonyms
1003-52-74-Methyloxazole-5-carbonitrile5-Cyano-4-methyloxazoleEINECS 213-709-7DTXSID90143117EC 213-709-7RefChem:525630DTXCID4065608213-709-74-Methyl-1,3-oxazole-5-carbonitrile5-Oxazolecarbonitrile, 4-methyl-MFCD01111976
Show more names
4-Methyl-5-oxazolecarbonitrile; 4-Methyl-5-cyanooxazole; 5-Cyano-4-methyloxazole5-Oxazolecarbonitrile,4-methyl-4-methyl-5-cyanooxazole4-Methyl-5-oxazolecarbonitrile5-Cyano-4-methyl-1,3-oxazolePyridoxine Impurity 664-methyl-5-cyano-oxazoleSCHEMBL2140967
Database identifiers
- CAS
1003-52-7- PubChem CID
- 70480
- DTXSID
DTXSID90143117- EC Number
- 213-709-7
- Nikkaji
- J217.110D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 162 ℃ · 162℃ at 101.8kPa
- Density
- 1.12 at · 1.12 at 20℃
- vapor pressure
- 3.373 hPa · 3.373hPa at 20℃
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Liquid
- PH
- 8.6 at · 8.6 at 19.5℃ and 10g/L
- Appearance
- Light brown to brown Liquid
- LogP
- 0.53 at · 0.53 at 20℃ and pH8.6
- Surface tension
- 72 mN/m · 72mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H335-H412-H227
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
- HS Code
- 2934999090 · 2934999090
- REACH Registrations
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
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-methyloxazole-5-carbonitrile (EC: 213-709-7)
Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H335-H412-H227
- REACH Registrations
- Active
- Precautionary statements
- P210-P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…