Basic information
- CAS
898289-03-7- Standard SMILES
Cn1ccc2ccc(N=C=O)cc21- InChIKey
NNPKUXMSIKSIDR-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 6-Isocyanato-1-methyl-1H-indole
- IUPAC
- 6-isocyanato-1-methylindole
- English name
- 6-Isocyanato-1-methyl-1H-indole 97+%
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
6-Isocyanato-1-methyl-1H-indole898289-03-76-isocyanato-1-methylindole1H-Indole,6-isocyanato-1-methyl-MFCD087414351-Methyl-1H-indol-6-yl isocyanate6-isocyanato-1-methyl-indole1-methylindol-6-isocyanateSCHEMBL16297275DTXSID30467480SBB088633AKOS006223410
Show more names
6-Isocyanato-1-methylindole97%6-Isocyanato-1-methylindole 97%1H-Indole, 6-isocyanato-1-methyl-1-Methyl-1H-indol-6-ylisocyanate97%6-Isocyanato-1-methyl-1H-indole 97+%1-Methyl-1H-indol-6-yl isocyanate 97%
DB-078499EN300-1853136
Database identifiers
- CAS
898289-03-7- PubChem CID
- 11492011
- DTXSID
DTXSID30467480
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 34.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 297.3 · 297.3±13.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- Sensitive
- Moisture Sensitive/Lachrymatory
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311-H330-EUH204
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- C,T
- Hazard Note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- C,T
- hazard_note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- Hazard statements
- H301+H311-H330-EUH204
- Precautionary statements
- P280-P309+P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Syntechem Co.,Ltd[email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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