3-Chloro-5-fluoro-2-methylaniline
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Basic information
- CAS
886761-87-1- Standard SMILES
Cc1c(N)cc(F)cc1Cl- InChIKey
WAPXWUPJSPGPSS-UHFFFAOYSA-N- Molecular formula
- C7H7ClFN
- Average molar mass
- 159.59 g/mol
- Monoisotopic mass
- 159.0251051
Names & identifiers
- Preferred name
- 3-Chloro-5-fluoro-2-methylaniline
- IUPAC
- 3-chloro-5-fluoro-2-methylaniline
- English name
- 2-AMINO-6-CHLORO-4-FLUOROTOLUENE
- Molecular formula
- C7H7ClFN
- Molecular weight
- 159.59
Names & synonyms
3-chloro-5-fluoro-2-methylaniline886761-87-12-Amino-6-chloro-4-fluorotolueneMFCD030941953-chloro-5-fluoro-2-methylBenzenamineSCHEMBL22587947DTXSID703722013-chloro-5-fluoro-2-methyl-anilineSBB0873973-chloro-5-fluoro-2-methylphenylamineAKOS022171772DS-5541
Show more names
2-Amino-6-chloro-4-fluorotoluene 95+%3-Chloro-5-fluoro-2-methyl-phenylamineBenzenamine, 3-chloro-5-fluoro-2-methyl-
SB75861DB-078105CS-0186807C76964F334759
Database identifiers
- CAS
886761-87-1- PubChem CID
- 2737643
- DTXSID
DTXSID70372201
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 242.1 · 242.1±35.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.38 · 2.38±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921490090 · 2921490090
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
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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