5,7-Difluorobenzo[d]thiazol-2-amine

HCID 15050564CAS 788124-34-5

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Basic information

Standard SMILES: Nc1nc2cc(F)cc(F)c2s1
InChIKey: OEEBJKDZPLDBQI-UHFFFAOYSA-N
Molecular formula: C7H4F2N2S
Average molar mass: 186.18 g/mol
Monoisotopic mass: 186.00632557

Names & identifiers

Preferred name: 5,7-Difluorobenzo[d]thiazol-2-amine
IUPAC: 5,7-difluoro-1,3-benzothiazol-2-amine
English name: 5,7-Difluoro-1,3-benzothiazol-2-amine
Molecular formula: C7H4F2N2S
Molecular weight: 186.18

Names & synonyms

5,7-Difluorobenzo[d]thiazol-2-amine5,7-Difluorobenzo(d)thiazol-2-amineRefChem:528226888-541-6788124-34-55,7-difluoro-1,3-benzothiazol-2-amine2-Amino-5,7-difluorobenzothiazoleMFCD084445442-Benzothiazolamine, 5,7-difluoro-5,7-DIFLUOROBENZO[D]THIAZOL-2(3H)-IMINESCHEMBL1748005SCHEMBL30389176

Show more names

DTXSID40567561OEEBJKDZPLDBQI-UHFFFAOYSA-NUKRORGSYN-BB BBV-210249AKOS009115084DS-18330SY064352DB-123767CS-0042667

Database identifiers

CAS: 788124-34-5
PubChem CID: 15050564
DTXSID: DTXSID40567561
EC Number: 888-541-6

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 181

Physicochemical properties

Boiling point: 306.8 · 306.8±45.0 °C(Predicted)
Density: 1.591 · 1.591±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.96 · 2.96±0.30(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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)

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

Safety data

hs_code: 29342000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313