Basic information
- CAS
53473-85-1- Standard SMILES
Nc1ccc2sncc2c1- InChIKey
LPUJHVNRGNTQPL-UHFFFAOYSA-N- Molecular formula
- C7H6N2S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.02516937
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-5-amine
- IUPAC
- 1,2-benzothiazol-5-amine
- English name
- 1,2-Benzisothiazol-5-amine(9CI)
- Molecular formula
- C7H6N2S
- Molecular weight
- 150.2
Names & synonyms
53473-85-11,2-Benzisothiazol-5-amine5-Amino-1,2-benzisothiazoleCCRIS 6351UNII-272LX6X0LHBRN 0116618272LX6X0LHDTXSID602016574-27-00-04815 (Beilstein Handbook Reference)1,2-BENZISOTHIAZOLE, 5-AMINO-RefChem:71676DTXCID90124148
Show more names
Benzo[d]isothiazol-5-amine1,2-benzothiazol-5-amineBenzo[d]isothiazol-5-ylamine1,2-Benzisothiazol-5-amine(9CI)MFCD016588901,2-Benzisothiazole-5-amine5-Aminobenzo[d]isothiazoleSCHEMBL910814
Database identifiers
- CAS
53473-85-1- PubChem CID
- 198293
- DTXSID
DTXSID60201657- UNII
- 272LX6X0LH
- EC Number
- 818-021-6
- Nikkaji
- J414.046J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 232.5 · 232.5±22.0 °C(Predicted)
- Density
- 1.383 · 1.383
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 5.2 · 5.20±0.33(Predicted)
- Appearance
- Light brown to brown Solid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 272 LX6X0LH · 272LX6X0LH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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)
Aggregated GHS information provided per 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers39 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Beijing CosmicKoda Chemical Technology Co.,Ltd8615311061293 15311061293 · [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]
Related reactions
4 records
Compound notes
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