CAS 119385-80-7 3-Amino-2,4,5-trifluorobenzoic acid (HCID 2735946)

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Basic information

CAS: 119385-80-7
Standard SMILES: Nc1c(F)c(F)cc(C(=O)O)c1F
InChIKey: NVWVZPFPZJYLNK-UHFFFAOYSA-N
Molecular formula: C7H4F3NO2
Average molar mass: 191.11 g/mol
Monoisotopic mass: 191.01941303

Names & identifiers

Preferred name: 3-Amino-2,4,5-trifluorobenzoic acid
IUPAC: 3-amino-2,4,5-trifluorobenzoic acid
English name: 3-Amino-2,4,5-trifluorobenzoic acid
Molecular formula: C7H4F3NO2
Molecular weight: 191.11

Names & synonyms

3-amino-2,4,5-trifluorobenzoic acid119385-80-7DTXSID70371037RefChem:276328DTXCID40322071630-205-6Sitafloxacin Impurity 27MFCD00077453Benzoic acid, 3-amino-2,4,5-trifluoro-3-amino-2,4,5-trifluoro-benzoic AcidBenzoic acid, 3-amino-2,4,5-trifluoro- (9CI)SCHEMBL3226637

Show more names

3-Amino-2,4,5-trifluorobenzoic acid 97%3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID USP/EP/BP

SCHEMBL29706506NVWVZPFPZJYLNK-UHFFFAOYSA-NSBB091237AKOS0062290043-Amino-2,4,5-trifluorobenzoicacid97%AS-49411SY4213803-AMINO-245-TRIFLUOROBENZOIC ACID

Database identifiers

CAS: 119385-80-7
PubChem CID: 2735946
DTXSID: DTXSID70371037
EC Number: 630-205-6
Nikkaji: J1.629.967G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 133 · 133-136 °C
Boiling point: 306.4 · 306.4±42.0 °C(Predicted)
Density: 1.635 · 1.635±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.03 · 3.03±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 119385 · 119385-80-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501