4-Chloro-1-methyl-1H-indole-2-carboxylic acid
Basic information
- CAS
23967-44-4- Standard SMILES
Cn1c(C(=O)O)cc2c(Cl)cccc21- InChIKey
VGCZPBOQBLXWRG-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- 4-Chloro-1-methyl-1H-indole-2-carboxylic acid
- IUPAC
- 4-chloro-1-methylindole-2-carboxylic acid
- English name
- 4-chloro-1-methyl-1H-indole-2-carboxylic acid
- Molecular formula
- C10H8ClNO2
- Molecular weight
- 209.63
Names & synonyms
4-chloro-1-methyl-1H-indole-2-carboxylic acid23967-44-4DTXSID30406470RefChem:291314DTXCID80357322812-399-64-chloro-1-methylindole-2-carboxylic acidMFCD073647321H-Indole-2-carboxylic acid, 4-chloro-1-methyl-4-chloro-1-methyl-indole-2-carboxylic AcidSCHEMBL19343561ALBB-005038
Show more names
4-chloro-1-methyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
STK501556AKOS004119369SY082301VS-03366CS-0136788E81695F311823
Database identifiers
- CAS
23967-44-4- PubChem CID
- 4777909
- DTXSID
DTXSID30406470- EC Number
- 812-399-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 420.6 · 420.6±25.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.9 · 3.90±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
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)
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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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