Basic information
- CAS
72111-09-2- Standard SMILES
NC(=NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
GGAPMNUHESBFNK-UHFFFAOYSA-N- Molecular formula
- C9H6F6N2O
- Average molar mass
- 272.15 g/mol
- Monoisotopic mass
- 272.03843179
Names & identifiers
- Preferred name
- N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
- IUPAC
- N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
- English name
- 3,5-Bis(trifluoromethyl)benzamidoxime
- Molecular formula
- C9H6F6N2O
- Molecular weight
- 272.15
Names & synonyms
3,5-Bis(trifluoromethyl)benzamidoxime72111-09-2MFCD00068188N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamideN'-Hydroxy-3,5-bis(trifluoromethyl)benzimidamideN-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamideN'-hydroxy-3,5-bis(trifluoromethyl)benzene-1-carboximidamideMaybridge1_007883SCHEMBL627579SCHEMBL2430500SY032224DB-021973
Show more names
BUTTPARK 33\04-483,5-DI(TRIFLUOROMETHYL)BENZAMIDOXIME3,5-BIS(TRIFLUOROMETHYL)BENZAMIDOXINE3,5-Bis(trifluoromethyl)benzamidoxime97%3,5-Bis(trifluoromethyl)benzamidoxime 97%2-Bromo-6-chloro-5-(trifluoromethyl)aniline(Z)-N'-hydroxy-3,5-bis(trifluoroMethyl)benziMidaMide
N'-hydroxy-3,5-bis(trifluoromethyl)benzamidineF006002N inverted exclamation mark -Hydroxy-3,5-Bis(Trifluoromethyl)Benzimidamide
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 129 · 129-132 °C(lit.)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17)
- InChIKey
- GGAPMNUHESBFNK-UHFFFAOYSA-N
- SMILES
- N\C(=N\O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
- CAS DataBase Reference
- 72111 · 72111-09-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
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]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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. 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2921490090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Applications
Uses3,5-Bis(trifluoromethyl)benzamidoxime [N′-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide] is a BAO [3,5-bis(trifluoromethyl)] derivative containing amidoxime as a functional group].
General Description3,5-Bis(trifluoromethyl)benzamidoxime [N′-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide] is a BAO [3,5-bis(trifluoromethyl)] derivative containing amidoxime as a functional group].
Suppliers36 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [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]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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