Basic information
- CAS
41972-62-7- Standard SMILES
Nc1ccc2nnsc2c1- InChIKey
FHADHGAXUKFKHY-UHFFFAOYSA-N- Molecular formula
- C6H5N3S
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.02041835
Names & identifiers
- Preferred name
- 1,2,3-Benzothiadiazol-6-amine
- IUPAC
- 1,2,3-benzothiadiazol-6-amine
- English name
- benzo[d][1,2,3]thiadiazol-6-aMine
- Molecular formula
- C6H5N3S
- Molecular weight
- 151.19
Names & synonyms
41972-62-71,2,3-benzothiadiazol-6-amineRefChem:410669813-967-6benzo[d][1,2,3]thiadiazol-6-amineMFCD20691248SCHEMBL12920126-Amino-1,2,3,-benzothiadiazole6-Aminobenzo[d][1,2,3]thiadiazoleAKOS022904371AS-48575SY244510
Show more names
105405
DB-229859CS-0119969F51398F517724
Database identifiers
- CAS
41972-62-7- PubChem CID
- 22715331
- EC Number
- 813-967-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 319.2 · 319.2±34.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.1 · 1.10±0.10(Predicted)
- Appearance
- Gray to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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