7-chloro-1H-indole
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Basic information
- CAS
53924-05-3- Standard SMILES
Clc1cccc2cc[nH]c12- InChIKey
WMYQAKANKREQLM-UHFFFAOYSA-N- Molecular formula
- C8H6ClN
- Average molar mass
- 151.59 g/mol
- Monoisotopic mass
- 151.01887687
Names & identifiers
- Preferred name
- 7-chloro-1H-indole
- IUPAC
- 7-chloro-1H-indole
- English name
- 7-Chloroindole
- Molecular formula
- C8H6ClN
- Molecular weight
- 151.59
Names & synonyms
7-Chloroindole53924-05-37-Chloro-1H-indoleDTXSID80202207EINECS 258-865-7RefChem:546048DTXCID40124698258-865-71H-Indole, 7-chloro-MFCD01321301Indole, 7-chloro7-Chloroindole, 97%
Show more names
7-ChL7-chloroindoles7-CHLOROINDAZOLE7-Chloroindole,98%7-Chloroindole >RARECHEM AH BS 0085TIMTEC-BB SBB004058
BIDD:GT0137SCHEMBL443938CHEMBL111579FS-2241SB14992AC-24620C2436Z1255488512
Database identifiers
- CAS
53924-05-3- PubChem CID
- 104644
- DTXSID
DTXSID80202207- ChEMBL
CHEMBL111579- UNII
- TP2MHC8CJ2
- EC Number
- 258-865-7
- Nikkaji
- J279.539F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
LogP3.25
Physicochemical properties
- Melting point
- 55 · 55-58 °C(lit.)
- Boiling point
- 90 · 90-95 °C0.25 mm Hg(lit.)
- Density
- 1.1976 · 1.1976 (rough estimate)
- refractive index
- 1.566 · 1.5660 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 15.42 · 15.42±0.30(Predicted)
- color
- White to Light yellow to Dark green
- BRN
- 114743 · 114743
- InChI
- InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
- InChIKey
- WMYQAKANKREQLM-UHFFFAOYSA-N
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses7-Chloroindole may be used in the preparation of 1-methyl-7-chloroindole and glycosylated 7-chloroindole-3-acetamide.
General Description7-Chloroindole is an indole derivative. It has been synthesized from 2,3-dihydroindole.
Upstream & downstream products
Downstream products
Related reactions
43 records
Compound notes
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