5-Amino-2-methyl-1,3-oxazole-4-carbonitrile

HCID 281137

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Basic information

CAS: 5098-16-8
Standard SMILES: Cc1nc(C#N)c(N)o1
InChIKey: OVIXKBXQNCJGDG-UHFFFAOYSA-N
Molecular formula: C5H5N3O
Average molar mass: 123.11 g/mol
Monoisotopic mass: 123.04326178

Names & identifiers

Preferred name: 5-Amino-2-methyl-1,3-oxazole-4-carbonitrile
IUPAC: 5-amino-2-methyl-1,3-oxazole-4-carbonitrile
English name: 3-AMINOBENZOTRIFLUORIDE
Molecular formula: C5H5N3O
Molecular weight: 123.11

Names & synonyms

5-amino-2-methyl-1,3-oxazole-4-carbonitrileDTXSID20299919RefChem:532204DTXCID40251054840-596-75-Amino-2-methyloxazole-4-carbonitrile5098-16-82-methyl-5-aminooxazole-4-carbonitrileMFCD026856525-AMINO-2-METHYL-4-OXAZOLECARBONITRILE5-amino-2-methyl-oxazole-4-carbonitrile4-Oxazolecarbonitrile, 5-amino-2-methyl-

Show more names

NSC 133684AKOS 91144AURORA KA-675AKOS BBS-00003653TIMTEC-BB SBB003954LABOTEST-BB LTBB000739M-AMINOBENZOTRIFLUORIDEM-AMINO-TRIFLUOROTOLUENEM-(TRIFLUOROMETHYL)ANILINEA,A,A-TRIFLUORO-M-TOLUIDINE

NSC133684SCHEMBL25896502-methyl-4-cyano-5-aminooxazoleFAA098164-Oxazolecarbonitrile, 5-amino-2-mAKOS006278040CS-W018822MB02509

Database identifiers

CAS: 5098-16-8
PubChem CID: 281137
DTXSID: DTXSID20299919
EC Number: 840-596-7

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 75.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 150

Physicochemical properties

Melting point: 5 · 5-6 °C(lit.)
Boiling point: 187 °C · 187 °C(lit.)
Density: 1.29 g/mL · 1.29 g/mL at 25 °C(lit.)
vapor pressure: 0.3 mm · 0.3 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.480(lit.)
Flash point: 185 °F · 185 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 5098 · 5098-16-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H302-H332-H315-H335-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 2
rtecs: XU9180000
ridadr: UN 2948 6.1/PG 2
risk_code: 22-24-26-33
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T+
safety_code: 36/37/39-45
Hazard statements: H312-H302-H332-H315-H335-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers36 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

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Compound notes

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