Basic information
- CAS
1682-39-9- Standard SMILES
Nc1nc2cc(F)ccc2o1- InChIKey
PFPSBRGOJCFWKD-UHFFFAOYSA-N- Molecular formula
- C7H5FN2O
- Average molar mass
- 152.13 g/mol
- Monoisotopic mass
- 152.03859095
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-5-fluoro-
- IUPAC
- 5-fluoro-1,3-benzoxazol-2-amine
- English name
- 5-Fluorobenzoxazol-2-amine
- Molecular formula
- C7H5FN2O
- Molecular weight
- 152.13
Names & synonyms
1682-39-9BENZOXAZOLE, 2-AMINO-5-FLUORO-DTXSID60168534RefChem:1079371DTXCID40910255-Fluorobenzo[d]oxazol-2-amine5-fluoro-1,3-benzoxazol-2-amine2-Amino-5-fluorobenzoxazole5-fluorobenzoxazol-2-amine2-Benzoxazolamine, 5-fluoro-NSC24983MFCD01664142
Show more names
(5-fluoro-1,3-benzoxazol-2-yl)amine5-fluorobenzo[d]oxazol-2-amine - [F21727]
WLN: T56 BN DOJ CZ HFNSC 249835-Fluoro-2-benzoxazolamine5-fluoro-1,3-benzoxazol-2-amine(saltdata: free)SCHEMBL12965896SCHEMBL31119203ALBB-027302NSC-24983
Database identifiers
- CAS
1682-39-9- PubChem CID
- 15516
- DTXSID
DTXSID60168534- Nikkaji
- J41.891I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 282.8 · 282.8±32.0 °C(Predicted)
- Density
- 1.3259 · 1.3259 (estimate)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.22 · 2.22±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
- InChIKey
- PFPSBRGOJCFWKD-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(F)C=C2N=C1N
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Toxicity
- mouse,LD50,intraperitoneal,450mg/kg (450mg/kg),Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers45 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
常州市辰悦化工科技有限公司+86-0519-85500896 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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