CAS 83141-11-1 3-Amino-2,6-difluorobenzoic acid (HCID 18405352)

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Basic information

CAS: 83141-11-1
Standard SMILES: Nc1ccc(F)c(C(=O)O)c1F
InChIKey: ORSUTLAFOCNIDY-UHFFFAOYSA-N
Molecular formula: C7H5F2NO2
Average molar mass: 173.12 g/mol
Monoisotopic mass: 173.02883473

Names & identifiers

Preferred name: 3-Amino-2,6-difluorobenzoic acid
IUPAC: 3-amino-2,6-difluorobenzoic acid
English name: 3-AMINO-2,6-DIFLUOROBENZOIC ACID
Molecular formula: C7H5F2NO2
Molecular weight: 173.12

Names & synonyms

3-Amino-2,6-difluorobenzoic acid83141-11-1DTXSID20593444RefChem:276332DTXCID10544208MFCD073688333-amino-2,6-difluoro-benzoic acidBenzoic acid, 3-amino-2,6-difluoro-SCHEMBL670548CL8061AKOS012322935CS-W021830

Show more names

3-Amino-2,6-difluorobenzoicacid,95%

SY046541TS-02364EN300-217750BCP09288AM62560BB 0257438FT-0646585SCHEMBL30296903

Database identifiers

CAS: 83141-11-1
PubChem CID: 18405352
DTXSID: DTXSID20593444
EC Number: 676-401-5

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Boiling point: 315.9 · 315.9±42.0 °C(Predicted)
Density: 1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Solid
pka: 1.48 · 1.48±0.10(Predicted)
Appearance: Off-white to pale purple Solid
CAS DataBase Reference: 83141 · 83141-11-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2922499990 · 2922499990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.