Basic information
- CAS
1173021-01-6- Standard SMILES
[15NH2][13C](=O)c1c(F)cccc1F- InChIKey
AVRQBXVUUXHRMY-ZCIFZXMMSA-N- Molecular formula
- C7H5F2NO
- Average molar mass
- 159.1 g/mol
- Monoisotopic mass
- 159.03430984
Names & identifiers
- Preferred name
- 2,6-Difluoro(carbonyl-~13~C,~15~N)benzamide
- IUPAC
- 2,6-difluoro(13C,15N)benzamide
- English name
- 2,6-Difluorobenzamide-α-13C,15N
- Molecular formula
- C7H5F2NO
- Molecular weight
- 159.1355064
Names & synonyms
1173021-01-6DTXSID507459342,6-Difluoro(carbonyl-~13~C,~15~N)benzamideRefChem:248337DTXCID906966782,6-Difluorobenzamide-alpha-13C,15N, 98 atom % 15N, 99 atom % 13C, 97% (CP)2,6-Difluorobenzamide-α-13C,15N2,6-Difluorobenzamide-α-13C,15N
Database identifiers
- CAS
1173021-01-6- PubChem CID
- 71309596
- DTXSID
DTXSID50745934- EC Number
- 693-392-3
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
Physicochemical properties
- Melting point
- 145 · 145-148 °C(lit.)
- form
- solid
- InChI
- 1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)/i7+1,10+1
- InChIKey
- AVRQBXVUUXHRMY-ZCIFZXMMSA-N
- SMILES
- [15NH2][13C](=O)c1c(F)cccc1F
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
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 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 1
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H335-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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