Basic information
- CAS
36216-80-5- Standard SMILES
Nc1noc2ccccc12- InChIKey
NLMVYUBGWZWUGB-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801281
Names & identifiers
- Preferred name
- 1,2-Benzoxazol-3-amine
- IUPAC
- 1,2-benzoxazol-3-amine
- English name
- 3-Amino-1,2-benzisoxazole
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
1,2-benzoxazol-3-amineRefChem:411305800-075-71,2-Benzisoxazol-3-amine36216-80-5Benzo[d]isoxazol-3-amine3-Amino-1,2-benzisoxazoleBenzo[d]isoxazol-3-ylamine1,2-Benzoisoxazol-3-amineMFCD03407353aminobenzisoxazoleamino-benzoisoxazole
Show more names
-3-amine, 97%1,2-BenzisoxazoLAKOS BBS-00002920IFLAB-BB F1935-0009indoxazen-3-ylamineOTAVA-BB BB7119710108
3-Aminobenzisoxazolebenzo[d]isoxazole-3-ylamineF1935-0009iminobenzisoxazoliiminobenzisoxazolidine1,2-benzisoxazol-3-ylaminebenzo[d]isoxazol-3-yl-amineSCHEMBL52685
Database identifiers
- CAS
36216-80-5- PubChem CID
- 2779749
- DTXSID
DTXSID30381536- EC Number
- 800-075-7
- Nikkaji
- J260.023D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
LogP1.31
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 311.6 · 311.6±15.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.04 · 2.04±0.30(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- CAS DataBase Reference
- 36216 · 36216-80-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (25%)
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38-36-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36/37/39-37/39-45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses1,2-Benzisoxazol-3-amine is a useful reagent for the preparation of benzisoxazole sulfonamides useful in treatment of diseases
Upstream & downstream products
Upstream raw materials
Suppliers82 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Related reactions
18 records
Compound notes
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