Basic information
- CAS
332026-86-5- Standard SMILES
Nc1nonc1-c1nc2ccccc2[nH]1- InChIKey
QEPDSNAEMKSMGN-UHFFFAOYSA-N- Molecular formula
- C9H7N5O
- Average molar mass
- 201.18 g/mol
Names & identifiers
- Preferred name
- 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
- IUPAC
- 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
- English name
- 3-AMINE-4-(1H-BENZIMIDAZOL-2-YL)-1,2,5-OXADIAZOLE
- Molecular formula
- C9H7N5O
- Molecular weight
- 201.18
Names & synonyms
332026-86-54-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amineDTXSID70417303RefChem:510480DTXCID003681524-(1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine4-(1H-Benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amineMFCD005018621,2,5-Oxadiazol-3-amine, 4-(1H-benzimidazol-2-yl)-4-(benzimidazol-2-ylidene)-1,2,5-oxadiazol-3-amineMLS0000991023-Amine-4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazole
Show more names
TIMTEC-BB SBB013706CHEMBRDG-BB 4021960UKRORGSYN-BB BBV-0667724-(2-Benzimidazolyl)-1,2,5-oxadiazol-3-amine4-(1H-benzo[d]imidazol-2-yl)-furazan-3-amine
SMR0000704924-benzimidazol-2-yl-1,2,5-oxadiazole-3-ylamine4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamineCBMicro_0087814-(1H-benzo[d]imidazol-2-SCHEMBL1160565CHEMBL1329127BDBM35517
Database identifiers
- CAS
332026-86-5- PubChem CID
- 738531
- DTXSID
DTXSID70417303- ChEMBL
CHEMBL1329127- EC Number
- 106-906-3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 498.1 · 498.1±55.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.91 · 9.91±0.10(Predicted)
- form
- solid
- Appearance
- Light yellow to yellow Solid
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN2811
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Safety data
- ridadr
- UN2811
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers24 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
绵阳凯新医药科技有限公司816-816-2551723 18681628050 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海威尔舒氪医药科技有限公司15250615384
苏州美石生物科技有限公司1173954148q · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南通因诺威医药科技有限公司0513-80339088 13862859328 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
19 records
Compound notes
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