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Basic information
- CAS
360-64-5- Standard SMILES
NC(=O)c1ccccc1C(F)(F)F- InChIKey
QBAYIBZITZBSFO-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO
- Average molar mass
- 189.13 g/mol
- Monoisotopic mass
- 189.04014847
Names & identifiers
- Preferred name
- 2-Trifluoromethylbenzamide
- IUPAC
- 2-(trifluoromethyl)benzamide
- English name
- 2-(Trifluoromethyl)benzamide
- Molecular formula
- C8H6F3NO
- Molecular weight
- 189.13
Names & synonyms
2-(Trifluoromethyl)benzamide360-64-52-TrifluoromethylbenzamideBenzamide, 2-(trifluoromethyl)-o-(Trifluoromethyl)benzamide5U8Y7E6AIOEINECS 206-637-2DTXSID40189560EC 206-637-2RefChem:483835DTXCID00112051206-637-2
Show more names
LABOTEST-BB LT00455036o-trifluoromethylbenzoate2-Carbamoylbenzotrifluorideà,à,à-trifluoro-o-toluamide2-Trifluoromethyl benzoamideN-(2-Trifluoromethyl)benzamide
MFCD00014798Fluopyram-benzamide2-(Trifluoromehtyl)benzamideo-trifluoromethyl-benzamideo-TrifluoromethylbenzamideUNII-5U8Y7E6AIO2-trifiuoromethylbenzamide2-(trifluoromethyl) benzamide
Database identifiers
- CAS
360-64-5- PubChem CID
- 67759
- DTXSID
DTXSID40189560- ChEMBL
CHEMBL4558027- UNII
- 5U8Y7E6AIO
- EC Number
- 206-637-2
- Nikkaji
- J193.863K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionLarge Crystals
Physicochemical properties
- Melting point
- 160 · 160-164 °C (lit.)
- Boiling point
- 247.3 · 247.3±40.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- vapor pressure
- 3.466 Pa · 3.466Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 15.46 · 15.46±0.50(Predicted)
- color
- White to Almost white
- Water Solubility
- 13 g/L · 13g/L
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
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 2-(trifluoromethyl)-
Regulation (EC) No 1107/2009 (amended)
Benzamide, 2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13262
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzamide, 2-(trifluoromethyl)-: ACTIVE
Applications
Uses2-(Trifluoromethyl)benzamide-D4 is an isotopic labeled intermediate for organic synthesis processes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司
Related reactions
3 records
Compound notes
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