methyl 4-chloro-1H-indole-2-carboxylate
Basic information
- CAS
230291-43-7- Standard SMILES
COC(=O)c1cc2c(Cl)cccc2[nH]1- InChIKey
VCWSTLMSXZPPMD-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- methyl 4-chloro-1H-indole-2-carboxylate
- IUPAC
- methyl 4-chloro-1H-indole-2-carboxylate
- English name
- 1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester
- Molecular formula
- C10H8ClNO2
- Molecular weight
- 209.63
Names & synonyms
methyl 4-chloro-1H-indole-2-carboxylate230291-43-7RefChem:816311851-380-71H-Indole-2-carboxylic acid, 4-chloro-, Methyl esterMFCD04966957methyl 4-chloroindole-2-carboxylateSCHEMBL5568273VCWSTLMSXZPPMD-UHFFFAOYSA-NFJA29143SBB013766STK688585
Show more names
AKOS000123953methyl4-chloro-1H-indole-2-carboxylateAS-48701ST087360SY115846DB-101349CS-00587574-Chloroindole-2-carboxylic acid methyl ester
Database identifiers
- CAS
230291-43-7- PubChem CID
- 4714974
- EC Number
- 851-380-7
- Nikkaji
- J2.475.483I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Boiling point
- 365.5 · 365.5±22.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.07 · 14.07±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
1 records
Compound notes
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