Basic information
- CAS
100949-31-3- Standard SMILES
Clc1ncnc2c(Cl)cc(Br)cc12- InChIKey
HITXWPIYOSHOEL-UHFFFAOYSA-N- Molecular formula
- C8H3BrCl2N2
- Average molar mass
- 277.93 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-4,8-dichloroquinazoline
- IUPAC
- 6-bromo-4,8-dichloroquinazoline
- English name
- 6-Bromo-4,8-dichloroquinazoline
- Molecular formula
- C8H3BrCl2N2
- Molecular weight
- 277.93
Names & synonyms
6-Bromo-4,8-dichloroquinazoline100949-31-3Quinazoline, 6-bromo-4,8-dichloro-
Database identifiers
- CAS
100949-31-3- PubChem CID
- 112554168
- EC Number
- 172-149-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 231 · 231-232 °C
- Boiling point
- 369.6 · 369.6±37.0 °C(Predicted)
- Density
- 1.851 · 1.851±0.06 g/cm3(Predicted)
- pka
- 0.2 · 0.20±0.50(Predicted)
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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