Basic information
- CAS
18063-03-1- Standard SMILES
NC(=O)c1c(F)cccc1F- InChIKey
AVRQBXVUUXHRMY-UHFFFAOYSA-N- Molecular formula
- C7H5F2NO
- Average molar mass
- 157.12 g/mol
- Monoisotopic mass
- 157.03392022
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,6-Difluorobenzamide
- IUPAC
- 2,6-difluorobenzamide
- English name
- 2,6-Difluorobenzamide
- Molecular formula
- C7H5F2NO
- Molecular weight
- 157.12
Names & synonyms
2,6-Difluorobenzamide18063-03-1Benzamide, 2,6-difluoro-SJ2RN214MKDTXSID4073417RefChem:445557DTXCID6035734241-972-8MFCD000079722,6-difluorobenzoic amideUNII-SJ2RN214MKEC 241-972-8
Show more names
2,6-difluorobenzoic acid amideuorobenzamideCompound Fr139742,6-Difluorbenzamid2,6-difluoro-benzamid2，6-difluorobenzaminde2,6-Difluorobenzoamide2,6-Difluorobenzoylamide2,6-Difluorobenzamide97%
CK1202PS-8830SB67309Z1044761382,6-difluoro benzamideEINECS 241-972-8Benzamide, 2,6-difluoro-; 2,6-Difluorobenzamide; Lufenuron Imp. A (EP)2,6 difluorobenzamide
Database identifiers
- CAS
18063-03-1- PubChem CID
- 87439
- DTXSID
DTXSID4073417- UNII
- SJ2RN214MK
- EC Number
- 241-972-8
- Nikkaji
- J43.076E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.25
Physicochemical properties
- Melting point
- 145 · 145-148 °C (lit.)
- Boiling point
- 51 · 51-52C/15Tor
- Density
- 1 · 1,199g/cm
- refractive index
- 1 · 1,508
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 5 %, · ethanol: soluble5%, clear to turbid, colorless to light yellow
- form
- Solid
- pka
- 14.54 · 14.54±0.50(Predicted)
- color
- Off-White
- BRN
- 2047480 · 2047480
- InChI
- 1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
- InChIKey
- AVRQBXVUUXHRMY-UHFFFAOYSA-N
- SMILES
- NC(=O)c1c(F)cccc1F
- LogP
- 0.011 · 0.011-0.25 at 25℃
- CAS DataBase Reference
- 18063 · 18063-03-1(CAS DataBase Reference)
- FDA UNII
- 2 RN214MK · SJ2RN214MK
- NIST Chemistry Reference
- 2 · Benzamide, 2,6-difluoro-(18063-03-1)
- EPA Substance Registry System
- 2 · Benzamide, 2,6-difluoro- (18063-03-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20
- Safety Statements
- 26 · 26-37/39-36/37
- WGK Germany
- 1 · 1
- RTECS
- 4355050 · CV4355050
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Toxicity
- 50 · rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293,
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 21.5% (56 of 260) of reports.
Warning
H302 (42.7%): 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)
Aggregated GHS information provided per 260 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 2,6-difluoro-
Commission Regulation No 844/2012
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 13-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5759
Hazard Classes and CategoriesAcute Tox. 4 (42.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- CV4355050
- hs_code
- 29242990
- Toxicity
- rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293,
- risk_code
- 36/37/38-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzamide, 2,6-difluoro-: ACTIVE
Applications
Description2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
Description2,6-Difluorobenzamide is a white powdery crystal, insoluble in water. It can be obtained by hydrolysis of 2,6-difluorobenzonitrile. 2,6-Difluorobenzamide is an important intermediate in the synthesis process of benzoylurea insecticides, which is used to synthesize the next intermediate 2,6-difluorobenzoyl isocyanate, and finally obtain flubolurea, pyruron, fluridin, lice mite urea and other pesticide varieties. It can also be directly used to synthesize pyruron and flubolea. 2,6-Difluorobenzamide can inhibit the bacterial cell division protein FtsZ[1].
Uses2,6-Difluorobenzamide (CAS# 18063-03-1) is a useful building block used in the synthesis of (E)-3-methyleneisoindolin-1-ones via oxidative annulation acrylates. It is also used in the synthesis of pesticide intermediates, which can be used to produce various insecticides such as fluazuron, chlorpyrifos, and pyrethroids.
Preparation methods
Preparation2,6-Difluorobenzamide is obtained by hydrolysis of 2,6-difluorobenzonitrile.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
62 records
Compound notes
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