Completing data — usually done within a minute
Basic information
- Standard SMILES
Fc1ccc2[nH]c3c(Cl)ncnc3c2c1- InChIKey
JJDNZPROOPECEV-UHFFFAOYSA-N- Molecular formula
- C10H5ClFN3
- Average molar mass
- 221.622 g/mol
- Monoisotopic mass
- 221.01560306
Names & identifiers
- Preferred name
- 4-chloro-8-fluoro-5H-pyrimido[5,4-b]indole
- IUPAC
- 4-Chloro-8-fluoro-5H-pyrimido[5,4-b]indole
- English name
- 4-Chloro-8-fluoro-5H-pyrimido[5,4-b]indole
- Molecular formula
- C10H5ClFN3
- Molecular weight
- 221.62
Names & synonyms
TIMTEC-BB SBB0114824-chloro-8-fluoro-5H-pyrimido[5,6-b]indole1-CHLORO-6-FLUORO-9H-2,4,9-TRIAZA-FLUORENE4-Chloro-8-fluoro-5H-pyrimido[5,4-b]indole5H-Pyrimido[5,4-b]indole, 4-chloro-8-fluoro-
Database identifiers
- CAS
331443-96-0- PubChem CID
- 5418133
- DTXSID
DTXSID201326786- ChEMBL
CHEMBL1444165- EC Number
- 873-152-6
Properties
Physicochemical properties
- Boiling point
- 419.7 · 419.7±40.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- 11.48 · 11.48±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
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]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
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Linked notes
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