Basic information
- CAS
1501-41-3- Standard SMILES
Cn1c(=O)c(CBr)nc2ccccc21- InChIKey
UADIEAODWPWLFL-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O
- Average molar mass
- 253.09 g/mol
- Monoisotopic mass
- 251.98983
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one
- IUPAC
- 3-(bromomethyl)-1-methylquinoxalin-2-one
- English name
- 2(1H)-Quinoxalinone,3-(bromomethyl)-1-methyl-
- Molecular formula
- C10H9BrN2O
- Molecular weight
- 253.1
Names & synonyms
3-(bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-oneRefChem:494373972-743-71501-41-33-(bromomethyl)-1-methylquinoxalin-2(1h)-one2(1H)-Quinoxalinone, 3-(bromomethyl)-1-methyl-3-(bromomethyl)-1-methylquinoxalin-2-oneNSC75193SCHEMBL3976218DTXSID50933874UADIEAODWPWLFL-UHFFFAOYSA-NBAA50141
Show more names
2(1H)-Quinoxalinone,3-(bromomethyl)-1-methyl-
MFCD13192552NSC-75193AKOS026728862SY1826671-Methyl-3-bromomethyl-2(1H)-quinoxalinoneEN300-62617G25364
Database identifiers
- CAS
1501-41-3- PubChem CID
- 252887
- DTXSID
DTXSID50933874- EC Number
- 972-743-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 193 °C · 193 °C (decomp)
- Boiling point
- 350.4 · 350.4±44.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- -0.85 · -0.85±0.70(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [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 17714375163 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
6 records
Compound notes
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