2,1,3-Benzothiadiazol-4-amine (HCID 69845)

Names & identifiers

Preferred name: 2,1,3-Benzothiadiazol-4-amine
IUPAC: 2,1,3-benzothiadiazol-4-amine
English name: 4-Aminobenzo-2,1,3-thiadiazole
Molecular formula: C6H5N3S
Molecular weight: 151.19

Names & synonyms

2,1,3-Benzothiadiazol-4-amine767-64-64-Aminobenzo-2,1,3-thiadiazole4-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-amino-NSC-73013N93ZR5H5L1DTXSID60227498RefChem:97834DTXCID60149989212-186-2Benzo[c][1,2,5]thiadiazol-4-amine

Show more names

AI3-60012NSC 7301322726-33-6BRN 0003551AKOS BC-0685MLS000762975NCI60_041592SMR000438262

4-AminopiazthioleMFCD00005810Benzo[1,2,5]thiadiazol-4-ylamine7-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazol-4-ylamine2,1,3-Benzothiadiazole, 7-amino-NSC730132lambda4,1,3-benzothiadiazol-4-amine

Database identifiers

CAS: 767-64-6
PubChem CID: 69845
DTXSID: DTXSID60227498
ChEMBL: CHEMBL1447590
UNII: N93ZR5H5L1
EC Number: 212-186-2
Nikkaji: J3.665.764B、J41.983D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 80 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 67 · 67-69 °C (lit.)
Boiling point: 303 · 303.0±15.0 °C(Predicted)
Density: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 0.81 · 0.81±0.10(Predicted)
color: Light yellow to Amber to Dark green
Water Solubility: Insoluble in water.
BRN: 3551 · 3551
InChI: InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES: N1=C2C=CC=C(N)C2=NS1
CAS DataBase Reference: 767 · 767-64-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 93 ZR5H5L1 · N93ZR5H5L1
NIST Chemistry Reference: 4 · 4-Amino-2,1,3-benzothiadiazole(767-64-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H302-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38-20/21/22
Safety Statements: 22 · 22-26-36/37/39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 9950000 · DK9950000
HS Code: 2934.99 · 2934.99.4400
HazardClass: IRRITANT
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98.6%)

Safety data

wgk: 3
rtecs: DK9950000
ridadr: 2811
hs_code: 2934.99.4400
risk_code: 22-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS06,GHS07
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39
hazard_class: IRRITANT
packing_group: III
Hazard statements: H301-H315-H319-H302-H335
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501

Chemistry & industry

Applications · 3 items

Uses4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.

Uses4-Amino-2,1,3-benzothiadiazole was used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.

General Description4-Amino-2,1,3-benzothiadiazole is a gold green to yellow brown powder. It undergoes palladium catalyzed C-N coupling with 2-(2′-bromo-9′,9′-diethylfluoren-7′-yl)-9,9-diethylfluorene to form novel fluorescent dyes. 4-Amino-2,1,3-benzothiadiazole forms dicopper complexes.