Basic information
- CAS
61788-27-0- Standard SMILES
O=C(Nc1ccccc1Cl)c1c[nH]c2ccccc12- InChIKey
OYUBLAUHKNUTEB-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0559907
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-1H-indole-3-carboxamide
- IUPAC
- N-(2-chlorophenyl)-1H-indole-3-carboxamide
- English name
- 1H-Indole-3-carboxaMide, N-(2-chlorophenyl)-
- Molecular formula
- C15H11ClN2O
- Molecular weight
- 270.71
Names & synonyms
N-(2-chlorophenyl)-1H-indole-3-carboxamide61788-27-0DTXSID40495052RefChem:1091028DTXCID10445862876-075-6Compound HMFCD124787241H-Indole-3-carboxamide, N-(2-chlorophenyl)-1H-Indole-3-carboxylic acid (2-chloro-phenyl)-amideSCHEMBL8258111CHEMBL1077587
Show more names
SCHEMBL29452910AKOS005887380DS-2646LDN-0187608DB-334998N-(2-chlorphenyl)-1H-indole-3-carboxamidCS-0083046EN300-77072
Database identifiers
- CAS
61788-27-0- PubChem CID
- 12375091
- DTXSID
DTXSID40495052- ChEMBL
CHEMBL1077587- EC Number
- 876-075-6
- Nikkaji
- J3.033.800F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 209 °C · 209 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 385.9 · 385.9±22.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.95 · 13.95±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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