Basic information
- CAS
22876-17-1- Standard SMILES
Nc1ccc2[nH]c(=O)oc2c1- InChIKey
STLPJYGZOIEDAJ-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.04292743
Names & identifiers
- Preferred name
- 6-amino-1,3-benzoxazol-2(3H)-one
- IUPAC
- 6-amino-3H-1,3-benzoxazol-2-one
- English name
- 6-Amino-1,3-benzoxazol-2(3H)-one
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
22876-17-16-amino-1,3-benzoxazol-2(3H)-one6-amino-3H-benzoxazol-2-oneDTXSID90356604RefChem:540044DTXCID60307663687-042-96-Aminobenzo[d]oxazol-2(3H)-one6-amino-3H-1,3-benzoxazol-2-one6-Amino-2-benzoxazolinone2(3H)-Benzoxazolone, 6-amino-MFCD00463899
Show more names
TIMTEC-BB SBB0103206-Aminobenzoxazolone6-Aminobenzoxazolin-2-one6-aminobenzo[d]oxazol-2-ol6-Aminobenzo[d]oxazol-2(3H)
6-Amino-3H-benzooxazol-2-one6-amino-2,3-dihydro-1,3-benzoxazol-2-one6-amino-2-benzoxazolone6-Aminobenzoxazol-2-oneOprea1_656901Oprea1_7048726-Amino-2-hydroxybenzoxazole6-Amino-2-benzoxazolinone, 97%
Database identifiers
- CAS
22876-17-1- PubChem CID
- 826989
- DTXSID
DTXSID90356604- EC Number
- 687-042-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 205 °C · 205°C(lit.)
- Density
- 1.438 · 1.438±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 9.03 · 9.03±0.70(Predicted)
- form
- solid
- Appearance
- Off-white to gray Solid
- InChI
- 1S/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
- InChIKey
- STLPJYGZOIEDAJ-UHFFFAOYSA-N
- SMILES
- Nc1ccc2NC(=O)Oc2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- Hazard Codes
- Xi,Xn
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Suppliers79 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Related reactions
61 records
Compound notes
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