Basic information
- CAS
6312-80-7- Standard SMILES
Cc1ccc(NC=O)cc1Cl- InChIKey
GMEIVQQHNQKLDN-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.0294416
Overview
See also: 3'-Chloro-4'-methylformanilide (annotation moved to).
Names & identifiers
- Preferred name
- n-(3-Chloro-4-methylphenyl)formamide
- IUPAC
- N-(3-chloro-4-methylphenyl)formamide
- English name
- 3'-Chloro-4'-methylformanilide
- Molecular formula
- C8H8ClNO
- Molecular weight
- 169.61
Names & synonyms
n-(3-chloro-4-methylphenyl)formamide6312-80-7NSC40551SCHEMBL5046512SCHEMBL75317683-chloro-4-methylphenylformamideDTXSID80285116NSC-40551AKOS014315708N-(3-chloro-4-methyl-phenyl)formamideN-(3-Chloro-4-methyl-phenyl)-formamideDB-158972
Show more names
3'-Chloro-4'-methylformanilide3'-Chloro-4'-methylformanilideFormamide, N-(3-chloro-4-methylphenyl)-
Database identifiers
- CAS
6312-80-7- PubChem CID
- 237240
- DTXSID
DTXSID80285116
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 335.1 · 335.1±35.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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