Basic information
- CAS
1421338-17-1- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c([N+](=O)[O-])cnc32)cc1- InChIKey
IUEDKJPOBOGQPE-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O4S
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0080547
Names & identifiers
- Preferred name
- 4-chloro-5-nitro-1-tosyl-1H-pyrrolopyridine
- IUPAC
- 4-chloro-1-(4-methylphenyl)sulfonyl-5-nitropyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[(4-methylphenyl)sulfonyl]-5-nitro-
- Molecular formula
- C14H10ClN3O4S
- Molecular weight
- 351.76
Names & synonyms
1421338-17-1RefChem:5214944-chloro-5-nitro-1-tosyl-1H-pyrrolopyridine878-340-14-chloro-5-nitro-1-tosyl-1H-pyrrolo[2,3-b]pyridineMFCD319252534-CHLORO-5-NITRO-1-(P-TOLYLSULFONYL)PYRROLO[2,3-B]PYRIDINEstarbld0002219orb3144019SCHEMBL23120015TQR0626TYD-03358
Show more names
4-Chloro-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-pyrrolo[2, 3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[(4-methylphenyl)sulfonyl]-5-nitro-
4-Chloro-5-nitro-1-tosyl-7-azaindoleSY422644WS-00728DB-153901CS-0147967E72047F6197284-chloro-1-(4-methylphenyl)sulfonyl-5-nitropyrrolo[2,3-b]pyridine
Database identifiers
- CAS
1421338-17-1- PubChem CID
- 71521286
- EC Number
- 878-340-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 542.9 · 542.9±60.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -0.82 · -0.82±0.30(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H319-H302-H312-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H319-H302-H312-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers31 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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