Basic information
- CAS
1136-52-3- Standard SMILES
Cc1ncc(CO)c2c1OC(C)(C)OC2- InChIKey
CZFIJMPIIQHVJD-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanol
- IUPAC
- (2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
- English name
- 2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
1136-52-32,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol2,2,8-Trimethyl-4H-1-3-dioxino(4,5-c)pyridin-5-ylmethanol2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanolDTXSID70150480TDPMRefChem:80931DTXCID1072971214-498-4(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol4H-1,3-Dioxino[4,5-c]pyridine-5-methanol, 2,2,8-trimethyl-MFCD00233509
Show more names
RMA-437α4,3-O-Isopropylidene Pyridoxineα4,3-O-Isopropylidene PyridoxineLinuron Impurity 5 (Metobromuron)
WDX5WR58LWNSC 103697MLS000026774{2,2,8-trimethyl-2H,4H-[1,3]dioxino[4,5-c]pyridin-5-yl}methanolNSC-1036973,4'-O-ISOPROPYLIDENE PYRIDOXINESMR000011096(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methanol
Database identifiers
- CAS
1136-52-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 331.9 · 331.9±42.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- Flash point
- 154.5 · 154.5º
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.26 · 13.26±0.10(Predicted)
- FDA UNII
- 5 WR58LW · WDX5WR58LW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- REACH Registrations
- Active
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol (EC: 214-498-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- REACH Registrations
- Active
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol is a Intermediate in the preparation of pharmaceuticals used to treat angina
Upstream & downstream products
Downstream products
Suppliers26 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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