Basic information
- CAS
1427359-26-9- Standard SMILES
N#Cc1cc2[nH]ccc2cc1Cl- InChIKey
LLOHWURGVUMHRI-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2
- Average molar mass
- 176.6 g/mol
- Monoisotopic mass
- 176.0141259
Names & identifiers
- Preferred name
- 5-Chloro-1H-indole-6-carbonitrile
- IUPAC
- 5-chloro-1H-indole-6-carbonitrile
- English name
- 5-chloro-1h-indole-6-carbonitrile
- Molecular formula
- C9H5ClN2
- Molecular weight
- 176.6
Names & synonyms
5-Chloro-1H-indole-6-carbonitrile1427359-26-9RefChem:534329899-323-5MFCD23706329AKOS022969230PB40624AS-51926CS-0050544P13921F5040371H-Indole-6-carbonitrile, 5-chloro-
Database identifiers
- CAS
1427359-26-9- PubChem CID
- 82653797
- EC Number
- 899-323-5
Properties
Computed structural properties
- XLogP
- 2.4
- 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
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- White Powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers10 total
Aladdin Scientific[email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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