3-Chloro-1H-indole-2-carbaldehyde
Basic information
- CAS
110912-15-7- Standard SMILES
O=Cc1[nH]c2ccccc2c1Cl- InChIKey
IHPBJLYJOIUBDY-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 3-Chloro-1H-indole-2-carbaldehyde
- IUPAC
- 3-chloro-1H-indole-2-carbaldehyde
- English name
- 3-Chloro-1H-indole-2-carbaldehyde
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
3-Chloro-1H-indole-2-carbaldehyde110912-15-7DTXSID50354661RefChem:278088DTXCID203057213-chloroindole-2-carbaldehydeMFCD03828574SCHEMBL1336656SCHEMBL29953769IHPBJLYJOIUBDY-UHFFFAOYSA-NALBB-007589SBB004425
Show more names
AKOS AU36-M196CHEMBRDG-BB 4003000TIMTEC-BB SBB0044253-chloro-1H-indole-2-carboxaldehyde1H-Indole-2-carboxaldehyde, 3-chloro-3-chloro-1H-indole-2-carbaldehyde(SALTDATA: FREE)
STK5046423-Chloro-1 H -indole-2-carbaldehydeAKOS000264889NCGC00329504-01AS-54825FC118268ST076733SY079321
Database identifiers
- CAS
110912-15-7- PubChem CID
- 778247
- DTXSID
DTXSID50354661- EC Number
- 985-441-5
- Nikkaji
- J770.135G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 364.7 · 364.7±22.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- 13.47 · 13.47±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…