4-Chloro-1-isocyano-2-methylbenzene
Basic information
- CAS
60515-59-5- Standard SMILES
[C-]#[N+]c1ccc(Cl)cc1C- InChIKey
OCUALJWHMLJTFU-UHFFFAOYSA-N- Molecular formula
- C8H6ClN
- Average molar mass
- 151.59 g/mol
- Monoisotopic mass
- 151.0188769
Names & identifiers
- Preferred name
- 4-Chloro-1-isocyano-2-methylbenzene
- IUPAC
- 4-chloro-1-isocyano-2-methylbenzene
- English name
- 4-Chloro-2-methylphenyl isocyanide
- Molecular formula
- C8H6ClN
- Molecular weight
- 151.59
Names & synonyms
60515-59-54-chloro-1-isocyano-2-methylbenzeneDTXSID20572855RefChem:291307DTXCID405236274-CHLORO-2-METHYLPHENYL ISOCYANIDEMFCD062006012-Methyl-4-chlorphenylisocyanide4-CHLORO-2-METHYLPHENYLISOCYANIDESCHEMBL81489634-chloro-1-isocyano-2-methyl-benzeneAKOS005144105
Show more names
HANSA ISN-0728BIO-FARMA BF0019502-METHYL-4-CHLORPHENYL-ISOCYANIDE
BS-28933DB-305596EN300-1177034
Database identifiers
- CAS
60515-59-5- PubChem CID
- 15445883
- DTXSID
DTXSID20572855- Nikkaji
- J1.135.552H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2929900090 · 2929900090
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
- 2929900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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