Basic information
- CAS
768-29-6- Standard SMILES
Nc1nnc(C(F)(F)F)o1- InChIKey
VMBAPDLMDFSJBH-UHFFFAOYSA-N- Molecular formula
- C3H2F3N3O
- Average molar mass
- 153.06 g/mol
- Monoisotopic mass
- 153.01499634
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-TRIFLUOROMETHYL-1,3,4-OXADIAZOL-2-YLAMINE
- Molecular formula
- C3H2F3N3O
- Molecular weight
- 153.06
Names & synonyms
5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine768-29-6DTXSID70335018RefChem:300722DTXCID20286107687-019-32-Amino-5-(trifluoromethyl)-1,3,4-oxadiazoleC3H2F3N3OMFCD080625812-Amino-5-trifluoromethyl-1,3,4-oxadiazole5-trifluoromethyl-1,3,4-oxadiazol-2-ylamine1,3,4-Oxadiazole, 2-amino-5-(trifluoromethyl)-
Show more names
Albb-0058632-AMino-5-(trifluoroMethyl)-1,3,4-oxadiazole 97%5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)
AC9049SY065072CS-0079626EN300-170577F2182-01195-(trifluoromethyl)-1,3,4-oxadiazole-2-ylamine5-Trifluoromethyl-[1,3,4]oxadiazol-2-ylamine1,3,4-Oxadiazol-2-amine, 5-(trifluoromethyl)-
Database identifiers
- CAS
768-29-6- PubChem CID
- 522630
- DTXSID
DTXSID70335018- EC Number
- 687-019-3
- Nikkaji
- J2.310.848H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 155 · 155-160°C
- Boiling point
- 145.3 · 145.3±50.0 °C(Predicted)
- Density
- 1.62 · 1.620±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.91 · -2.91±0.13(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
- InChIKey
- VMBAPDLMDFSJBH-UHFFFAOYSA-N
- SMILES
- Nc1nnc(o1)C(F)(F)F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 1
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2934999090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers32 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Related reactions
7 records
Compound notes
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