CAS 348-40-3 2-Amino-6-fluorobenzothiazole (HCID 319954)

Overview

6-Fluoro-1,3-benzothiazol-2-amine is a member of benzothiazoles.

Names & identifiers

Preferred name: 2-Amino-6-fluorobenzothiazole
IUPAC: 6-fluoro-1,3-benzothiazol-2-amine
English name: 2-Amino-6-fluorobenzothiazole
Molecular formula: C7H5FN2S
Molecular weight: 168.19

Names & synonyms

2-Amino-6-fluorobenzothiazole348-40-3DTXSID50313051RefChem:464772DTXCID50264175609-034-66-fluorobenzo[d]thiazol-2-amine6-Fluoro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-fluoro-MFCD000133366-Fluoro-benzothiazol-2-ylamine6-fluoro-2-aminobenzothiazole

Show more names

AKOS B034895AKOS BB-8275ASISCHEM Y86622TIMTEC-BB SBB000158OTAVA-BB BB71109503326-FLUORO-2-BENZOTHIAZOLAMINE2-BenzothiazolaMine, 6-floro2-AMino-6-fluorobenzothiozole

CHEMBL984062-amino 6-fluoro benzothiazoleHMS560B12CHEBI:194809FS-1160PD145345EN300-172186-fluorobenzothiazole-2-ylamine

Database identifiers

CAS: 348-40-3
PubChem CID: 319954
DTXSID: DTXSID50313051
ChEMBL: CHEMBL98406
ChEBI: CHEBI:194809
EC Number: 609-034-6
Nikkaji: J309.037J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Experimental & physicochemical properties

LogP2.2

Physicochemical properties

Melting point: 183 · 183-185 °C (lit.)
Boiling point: 312 · 312.0±34.0 °C(Predicted)
Density: 1.349 · 1.3490 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 3.77 · 3.77±0.10(Predicted)
form: Crystalline Powder
color: Off-white to tan
InChI: InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: CJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES: S1C2=CC(F)=CC=C2N=C1N
CAS DataBase Reference: 348 · 348-40-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29342000 · 29342000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29342000
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Amino-6-fluorobenzothiazole is a useful research chemical. An intermediate for the synthesis of benzothiazoles and aminobenzothiazoles with antimicrobial activity.