Basic information
- CAS
937604-51-8- Standard SMILES
Cc1cccc(Oc2c(N)cccc2Cl)c1- InChIKey
ABWQBDAOTPRWSU-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO
- Average molar mass
- 233.69 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-2-(3-methylphenoxy)aniline
- IUPAC
- 3-chloro-2-(3-methylphenoxy)aniline
- English name
- 3-Chloro-2-(3-methylphenoxy)aniline
- Molecular formula
- C13H12ClNO
- Molecular weight
- 233.69
Names & synonyms
3-CHLORO-2-(3-METHYLPHENOXY)ANILINE3-Chloro-2-(m-tolyloxy)aniline937604-51-8AKOS000101972SB81002AKOS B0343293-Chloro-2-(3-methylphenoxy)benzenamineBenzenamine, 3-chloro-2-(3-methylphenoxy)-
Database identifiers
- CAS
937604-51-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 323.1 · 323.1±37.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.10(Predicted)
- Hazard Codes
- Xi
- 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.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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