CAS 20358-07-0 2-Amino-5-fluorobenzothiazole (HCID 821203)

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Basic information

CAS: 20358-07-0
Standard SMILES: Nc1nc2cc(F)ccc2s1
InChIKey: YHBIGBYIUMCLJS-UHFFFAOYSA-N
Molecular formula: C7H5FN2S
Average molar mass: 168.19 g/mol
Monoisotopic mass: 168.01574738

Names & identifiers

Preferred name: 2-Amino-5-fluorobenzothiazole
IUPAC: 5-fluoro-1,3-benzothiazol-2-amine
English name: 2-AMINO-5-FLUOROBENZOTHIAZOLE
Molecular formula: C7H5FN2S
Molecular weight: 168.19

Names & synonyms

2-amino-5-fluorobenzothiazole20358-07-0DTXSID60356292RefChem:255710DTXCID70307351810-935-35-fluoro-1,3-benzothiazol-2-amine2-benzothiazolamine, 5-fluoro-5-FLUOROBENZO[D]THIAZOL-2-AMINEMFCD056645602-amino-5-fluoro-benzothiazoleMB03574

Show more names

5-Fluoro-2-benzothiazolamine2-AMino-5-fluorobenzothiozole5-Fluoro-2-benzo[d]thiazolamine2-Amino-5-fluorobenzothiazole>(5-Fluorobenzothiazol-2-yl)amine2-Benzothiazolamine,5-fluoro-(9CI)

AS-18938A1-008302-Benzothiazolamine,5-fluoro-AM84702A814487SCHEMBL1034495-fluoro benzothiazole-2-amine5-fluoro-benzothiazol-2-ylamine

Database identifiers

CAS: 20358-07-0
PubChem CID: 821203
DTXSID: DTXSID60356292
EC Number: 810-935-3
Nikkaji: J3.442.456J

Properties

Computed structural properties

XLogP: 2.1
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

Physicochemical properties

Melting point: 181 °C · 181°C
Boiling point: 312 · 312.0±34.0 °C(Predicted)
Density: 1.491 · 1.491
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Soluble in methanol.
pka: 3.81 · 3.81±0.10(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 20358 · 20358-07-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38-36/38
Safety Statements: 26 · 26-36/37/39-28
HS Code: 29342000 · 29342000

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 3 reports by companies from 3 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

hs_code: 29342000
risk_code: 36/37/38-36/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39-28
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P