5-chloro-1H-indole-2-carbonitrile
Basic information
- CAS
1374452-17-1- Standard SMILES
N#Cc1cc2cc(Cl)ccc2[nH]1- InChIKey
JSXIGJLWKPLXKE-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2
- Average molar mass
- 176.6 g/mol
- Monoisotopic mass
- 176.0141259
Names & identifiers
- Preferred name
- 5-chloro-1H-indole-2-carbonitrile
- IUPAC
- 5-chloro-1H-indole-2-carbonitrile
Names & synonyms
5-Chloro-1H-indole-2-carbonitrile1374452-17-1RefChem:534324836-568-9SCHEMBL17199995ZEC45217AKOS022969231NCGC00664244-01EN300-246179G51794Z1509294606
Database identifiers
- CAS
1374452-17-1- PubChem CID
- 82653798
- EC Number
- 836-568-9
- Nikkaji
- J3.712.178I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
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, 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%)
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Related reactions
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Compound notes
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