Basic information
- CAS
5676-60-8- Standard SMILES
Cc1nc2ccc(N)cc2o1- InChIKey
NNHTUFOCRUBQCF-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 2-Methyl-1,3-benzoxazol-6-amine
- IUPAC
- 2-methyl-1,3-benzoxazol-6-amine
- English name
- 6-Amino-2-methylbenzoxazole
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
5676-60-82-Methyl-1,3-benzoxazol-6-amineDTXSID30343558RefChem:262868DTXCID30294637961-054-72-Methylbenzo[d]oxazol-6-amine6-amino-2-methylbenzoxazole2-Methyl-benzooxazol-6-ylamineMFCD037911812-methylbenzoxazole-6-ylamine6-Benzoxazolamine, 2-methyl-
Show more names
2-Methyl-6-benzoxazolamine2-METHYL-1,3-BENZOXAZOL-6-AMIN (MFCD0379181)
2-Methyl-6-aminobenzoxazoleSCHEMBL615340SBB013056STK7240922-Methyl-1,3-benzoxazol-6-amine #AKOS001425422CCG-321583CS-W005245
Database identifiers
- CAS
5676-60-8- PubChem CID
- 590539
- DTXSID
DTXSID30343558- EC Number
- 961-054-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 144 · 144-146°C
- Boiling point
- 290.6 · 290.6±13.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.71 · 2.71±0.10(Predicted)
- Appearance
- Brown to black Solid
- InChI
- InChI=1S/C8H8N2O/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3
- InChIKey
- NNHTUFOCRUBQCF-UHFFFAOYSA-N
- SMILES
- O1C2=CC(N)=CC=C2N=C1C
- CAS DataBase Reference
- 5676 · 5676-60-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38-36
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2811
- hs_code
- 2934999090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- packing_group
- Ⅲ
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers68 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
Related reactions
21 records
Compound notes
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