2-Hydrazino-6-nitrobenzothiazole

HCID 4016318CAS 30710-21-5

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Basic information

Standard SMILES: NNc1nc2ccc([N+](=O)[O-])cc2s1
InChIKey: HCIQJRCGPLSQLH-UHFFFAOYSA-N
Molecular formula: C7H6N4O2S
Average molar mass: 210.22 g/mol
Monoisotopic mass: 210.02114643

Names & identifiers

Preferred name: 2-Hydrazino-6-nitrobenzothiazole
IUPAC: (6-nitro-1,3-benzothiazol-2-yl)hydrazine
English name: (6-Nitrobenzothiazol-2-yl)-hydrazine
Molecular formula: C7H6N4O2S
Molecular weight: 210.21

Names & synonyms

2-hydrazino-6-nitrobenzothiazoleRefChem:472931636-556-130710-21-52-Hydrazino-6-nitro-1,3-benzothiazole2-Hydrazinyl-6-nitrobenzo[d]thiazole(6-nitro-1,3-benzothiazol-2-yl)hydrazine2-hydrazinyl-6-nitro-1,3-benzothiazole6-nitrobenzothiazole-2-ylhydrazinebenzothiazole, 2-hydrazino-6-nitro-MFCD00022864NSC158091

Show more names

(6-Nitrobenzothiazol-2-yl)-hydrazineBenzothiazole, 2-hydrazinyl-6-nitro-1-(6-NITROBENZO[D]THIAZOL-2-YL)HYDRAZINE2(3H)-Benzothiazolone,6-nitro-,hydrazone(9CI)

SCHEMBL2116582CHEMBL12413736-nitro-2-hydrazinobenzothiazoleDTXSID403985542-hydrazino-6-nitro-benzothiazole6-nitro 2-hydrazino benzothiazoleHCIQJRCGPLSQLH-UHFFFAOYSA-NALBB-035041

Database identifiers

CAS: 30710-21-5
PubChem CID: 4016318
DTXSID: DTXSID40398554
ChEMBL: CHEMBL1241373
EC Number: 636-556-1

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 125 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 273 · 273-274°C
Boiling point: 435.9 · 435.9±47.0 °C(Predicted)
Density: 1.83 · 1.83±0.1 g/cm3(Predicted)
pka: -0.17 · -0.17±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2934208090 · 2934208090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934208090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H335-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P